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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,3-dimethylphenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,3-dimethylphenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[(3-methyl-2-thienyl)methyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2,3-dimethylanilino)-oxomethyl]-[2-(1-pyrrolidinyl)ethyl]amino]-N-[(3-methyl-2-thiophenyl)methyl]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,3-dimethylphenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[(2,3-dimethylphenyl)carbamoyl-(2-pyrrolidinoethyl)amino]-N-homoveratryl-N-[(3-methyl-2-thienyl)methyl]acetamide Formula: C33H44N4O4S MolecularWeight: 592.79186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)N(CCN2CCCC2)CC(=O)N(CCC3=CC(=C(C=C3)OC)OC)CC4=C(C=CS4)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)N(CCN2CCCC2)CC(=O)N(CCC3=CC(=C(C=C3)OC)OC)CC4=C(C=CS4)C)C

InChI

InChI=1S/C33H44N4O4S/c1-24-9-8-10-28(26(24)3)34-33(39)37(19-18-35-15-6-7-16-35)23-32(38)36(22-31-25(2)14-20-42-31)17-13-27-11-12-29(40-4)30(21-27)41-5/h8-12,14,20-21H,6-7,13,15-19,22-23H2,1-5H3,(H,34,39)