3-[7-chloranyl-5-(2-chlorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-1-methyl-1-(2-methyl-4-morpholin-4-yl-phenyl)thiourea

Systemtic Name: 3-[7-chloranyl-5-(2-chlorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-1-methyl-1-(2-methyl-4-morpholin-4-yl-phenyl)thiourea Openeye Name: 3-[7-chloro-5-(2-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-1-methyl-1-(2-methyl-4-morpholino-phenyl)thiourea CAS Name: 3-[7-chloro-5-(2-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-1-methyl-1-[2-methyl-4-(4-morpholinyl)phenyl]thiourea IUPAC Name: 3-[7-chloro-5-(2-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-1-methyl-1-(2-methyl-4-morpholin-4-ylphenyl)thiourea Traditional Name: 3-[7-chloro-5-(2-chlorophenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]-1-methyl-1-(2-methyl-4-morpholino-phenyl)thiourea Formula: C29H29Cl2N5O2S MolecularWeight: 582.54386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCOCC2)N(C)C(=S)NC3C(=O)N(C4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5Cl)C

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCOCC2)N(C)C(=S)NC3C(=O)N(C4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5Cl)C

InChI

InChI=1S/C29H29Cl2N5O2S/c1-18-16-20(36-12-14-38-15-13-36)9-11-24(18)35(3)29(39)33-27-28(37)34(2)25-10-8-19(30)17-22(25)26(32-27)21-6-4-5-7-23(21)31/h4-11,16-17,27H,12-15H2,1-3H3,(H,33,39)