(3R)-N'-butylsulfanyl-7-cyano-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carboximidamide

Systemtic Name: (3R)-N'-butylsulfanyl-7-cyano-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carboximidamide Openeye Name: (3R)-3-benzyl-N'-butylsulfanyl-7-cyano-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carboxamidine CAS Name: (3R)-N'-(butylthio)-7-cyano-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carboximidamide IUPAC Name: (3R)-3-benzyl-N'-butylsulfanyl-7-cyano-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carboximidamide Traditional Name: (3R)-3-benzyl-N'-(butylthio)-7-cyano-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carboxamidine Formula: C26H29N5O2S3 MolecularWeight: 539.73576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSN=C(N)N1CC(N(CC2=C1C=CC(=C2)C#N)S(=O)(=O)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CCCCS/N=C(\N)/N1C[C@H](N(CC2=C1C=CC(=C2)C#N)S(=O)(=O)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N5O2S3/c1-2-3-14-35-29-26(28)30-19-23(16-20-8-5-4-6-9-20)31(36(32,33)25-10-7-13-34-25)18-22-15-21(17-27)11-12-24(22)30/h4-13,15,23H,2-3,14,16,18-19H2,1H3,(H2,28,29)/t23-/m1/s1