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

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]acetamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)thio]acetamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)thio]acetamide Formula: C25H22ClN3O3S MolecularWeight: 479.97848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CSC2=NC3=CC=CC=C3N=C(C2)C4=CC=CC=C4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CSC2=NC3=CC=CC=C3N=C(C2)C4=CC=CC=C4)Cl)OC

InChI

InChI=1S/C25H22ClN3O3S/c1-31-22-14-23(32-2)21(12-17(22)26)28-24(30)15-33-25-13-20(16-8-4-3-5-9-16)27-18-10-6-7-11-19(18)29-25/h3-12,14H,13,15H2,1-2H3,(H,28,30)