N-(3,4-dimethoxyphenyl)-2-[2-(4-phenylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[2-(4-phenylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]sulfanyl-acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[[2-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]thio]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]sulfanylacetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[[2-(4-phenylpiperazine-1-carbonyl)phenyl]thio]acetamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H29N3O4S/c1-33-23-13-12-20(18-24(23)34-2)28-26(31)19-35-25-11-7-6-10-22(25)27(32)30-16-14-29(15-17-30)21-8-4-3-5-9-21/h3-13,18H,14-17,19H2,1-2H3,(H,28,31)