N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methylsulfanylphenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methylsulfanylphenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methylsulfanylphenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[(3-methyl-2-thienyl)methyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[[4-(methylthio)anilino]-oxomethyl]-[2-(1-pyrrolidinyl)ethyl]amino]-N-[(3-methyl-2-thiophenyl)methyl]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methylsulfanylphenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide Traditional Name: N-homoveratryl-N-[(3-methyl-2-thienyl)methyl]-2-[[4-(methylthio)phenyl]carbamoyl-(2-pyrrolidinoethyl)amino]acetamide Formula: C32H42N4O4S2 MolecularWeight: 610.83028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)CN(CCN3CCCC3)C(=O)NC4=CC=C(C=C4)SC

Isomeric SMILES

CC1=C(SC=C1)CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)CN(CCN3CCCC3)C(=O)NC4=CC=C(C=C4)SC

InChI

InChI=1S/C32H42N4O4S2/c1-24-14-20-42-30(24)22-35(17-13-25-7-12-28(39-2)29(21-25)40-3)31(37)23-36(19-18-34-15-5-6-16-34)32(38)33-26-8-10-27(41-4)11-9-26/h7-12,14,20-21H,5-6,13,15-19,22-23H2,1-4H3,(H,33,38)