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2-[2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamoyl]oxyethyldisulfanyl]ethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate

2-[2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamoyl]oxyethyldisulfanyl]ethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate

Systemtic Name:2-[2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamoyl]oxyethyldisulfanyl]ethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate
Openeye Name:2-[2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamoyl]oxyethyldisulfanyl]ethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate
CAS Name:2-methyl-4-(4-methyl-1-piperazinyl)-10-thieno[2,3-b][1,5]benzodiazepinecarboxylic acid 2-[2-[[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]-oxomethoxy]ethyldisulfanyl]ethyl ester
IUPAC Name:2-[2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamoyl]oxyethyldisulfanyl]ethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate
Traditional Name:2-methyl-4-(4-methylpiperazino)thieno[2,3-b][1,5]benzodiazepine-10-carboxylic acid 2-[2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamoyl]oxyethyldisulfanyl]ethyl ester
Formula: C40H44F3N5O5S3
MolecularWeight: 827.99807
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)N(C3=CC=CC=C3N=C2N4CCN(CC4)C)C(=O)OCCSSCCOC(=O)N(C)CCC(C5=CC=CC=C5)OC6=CC=C(C=C6)C(F)(F)F


Isomeric SMILES

CC1=CC2=C(S1)N(C3=CC=CC=C3N=C2N4CCN(CC4)C)C(=O)OCCSSCCOC(=O)N(C)CCC(C5=CC=CC=C5)OC6=CC=C(C=C6)C(F)(F)F


InChI

InChI=1S/C40H44F3N5O5S3/c1-28-27-32-36(47-21-19-45(2)20-22-47)44-33-11-7-8-12-34(33)48(37(32)56-28)39(50)52-24-26-55-54-25-23-51-38(49)46(3)18-17-35(29-9-5-4-6-10-29)53-31-15-13-30(14-16-31)40(41,42)43/h4-16,27,35H,17-26H2,1-3H3


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