N-(3,4-dimethoxyphenyl)-2-(2-pyrrolidin-1-ylcarbonylphenyl)sulfanyl-ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-(2-pyrrolidin-1-ylcarbonylphenyl)sulfanyl-ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[2-(pyrrolidine-1-carbonyl)phenyl]sulfanyl-acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[[2-[oxo(1-pyrrolidinyl)methyl]phenyl]thio]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[2-(pyrrolidine-1-carbonyl)phenyl]sulfanylacetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[[2-(pyrrolidine-1-carbonyl)phenyl]thio]acetamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)N3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)N3CCCC3)OC

InChI

InChI=1S/C21H24N2O4S/c1-26-17-10-9-15(13-18(17)27-2)22-20(24)14-28-19-8-4-3-7-16(19)21(25)23-11-5-6-12-23/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,22,24)