2-[7-chloranyl-5-(2-chlorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-N-(3-cyclohexylsulfanylpropyl)ethanamide

Systemtic Name: 2-[7-chloranyl-5-(2-chlorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-N-(3-cyclohexylsulfanylpropyl)ethanamide Openeye Name: 2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(3-cyclohexylsulfanylpropyl)acetamide CAS Name: 2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-[3-(cyclohexylthio)propyl]acetamide IUPAC Name: 2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(3-cyclohexylsulfanylpropyl)acetamide Traditional Name: 2-[7-chloro-5-(2-chlorophenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]-N-[3-(cyclohexylthio)propyl]acetamide Formula: C26H29Cl2N3O2S MolecularWeight: 518.49836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCCCNC(=O)CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCC(CC1)SCCCNC(=O)CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4Cl

InChI

InChI=1S/C26H29Cl2N3O2S/c27-18-11-12-23-21(15-18)26(20-9-4-5-10-22(20)28)30-16-25(33)31(23)17-24(32)29-13-6-14-34-19-7-2-1-3-8-19/h4-5,9-12,15,19H,1-3,6-8,13-14,16-17H2,(H,29,32)