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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)thio]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]acetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)thio]acetamide Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3OS/c1-17-12-18(2)14-20(13-17)26-24(29)16-30-25-15-23(19-8-4-3-5-9-19)27-21-10-6-7-11-22(21)28-25/h3-14H,15-16H2,1-2H3,(H,26,29)