N-[bis(azanyl)methylidene]-10-chloranyl-8-[ethanoyl(2-pyrrolidin-1-ylethyl)amino]-1-methyl-5,5-bis(oxidanylidene)-6H-benzo[b][1,5]benzoxathiepine-3-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-10-chloranyl-8-[ethanoyl(2-pyrrolidin-1-ylethyl)amino]-1-methyl-5,5-bis(oxidanylidene)-6H-benzo[b][1,5]benzoxathiepine-3-carboxamide Openeye Name: 8-[acetyl(2-pyrrolidin-1-ylethyl)amino]-10-chloro-N-(diaminomethylene)-1-methyl-5,5-dioxo-6H-benzo[b][1,5]benzoxathiepine-3-carboxamide CAS Name: 8-[acetyl-[2-(1-pyrrolidinyl)ethyl]amino]-10-chloro-N-(diaminomethylidene)-1-methyl-5,5-dioxo-6H-benzo[b][1,5]benzoxathiepin-3-carboxamide IUPAC Name: 8-[acetyl(2-pyrrolidin-1-ylethyl)amino]-10-chloro-N-(diaminomethylidene)-1-methyl-5,5-dioxo-6H-benzo[b][1,5]benzoxathiepine-3-carboxamide Traditional Name: 8-[acetyl(2-pyrrolidinoethyl)amino]-10-chloro-N-(diaminomethylene)-5,5-diketo-1-methyl-6H-benzo[b][1,5]benzoxathiepin-3-carboxamide Formula: C24H28ClN5O5S MolecularWeight: 534.02762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)C(=O)N=C(N)N)S(=O)(=O)CC3=CC(=CC(=C3O2)Cl)N(CCN4CCCC4)C(=O)C

Isomeric SMILES

CC1=C2C(=CC(=C1)C(=O)N=C(N)N)S(=O)(=O)CC3=CC(=CC(=C3O2)Cl)N(CCN4CCCC4)C(=O)C

InChI

InChI=1S/C24H28ClN5O5S/c1-14-9-16(23(32)28-24(26)27)11-20-21(14)35-22-17(13-36(20,33)34)10-18(12-19(22)25)30(15(2)31)8-7-29-5-3-4-6-29/h9-12H,3-8,13H2,1-2H3,(H4,26,27,28,32)