2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-(p-tolyl)acetamide CAS Name: 2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]-N-(p-tolyl)acetamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C(C2)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C(C2)C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H23N3O2S/c1-17-10-12-19(13-11-17)26-24(29)16-31-25-15-23(18-6-5-7-20(14-18)30-2)27-21-8-3-4-9-22(21)28-25/h3-14H,15-16H2,1-2H3,(H,26,29)