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

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]ethanamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]acetamide CAS Name: N-(2-chloro-4-methylphenyl)-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)thio]acetamide IUPAC Name: N-(2-chloro-4-methylphenyl)-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)thio]acetamide Formula: C24H20ClN3OS MolecularWeight: 433.9531

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H20ClN3OS/c1-16-11-12-19(18(25)13-16)27-23(29)15-30-24-14-22(17-7-3-2-4-8-17)26-20-9-5-6-10-21(20)28-24/h2-13H,14-15H2,1H3,(H,27,29)