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

Systemtic Name: 2-[(2,4-dichlorophenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamide Openeye Name: 2-[(2,4-dichlorophenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]acetamide CAS Name: 2-[[(2,4-dichloroanilino)-oxomethyl]-[2-(1-pyrrolidinyl)ethyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methyl-2-thiophenyl)methyl]acetamide IUPAC Name: 2-[(2,4-dichlorophenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[(2,4-dichlorophenyl)carbamoyl-(2-pyrrolidinoethyl)amino]-N-homoveratryl-N-[(3-methyl-2-thienyl)methyl]acetamide Formula: C31H38Cl2N4O4S MolecularWeight: 633.62882

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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=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C31H38Cl2N4O4S/c1-22-11-17-42-29(22)20-36(14-10-23-6-9-27(40-2)28(18-23)41-3)30(38)21-37(16-15-35-12-4-5-13-35)31(39)34-26-8-7-24(32)19-25(26)33/h6-9,11,17-19H,4-5,10,12-16,20-21H2,1-3H3,(H,34,39)