N-(2,6-dimethylphenyl)-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)thio]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]acetamide Traditional Name: N-(2,6-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=C(C(=CC=C1)C)NC(=O)CSC2=NC3=CC=CC=C3N=C(C2)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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