2-[[2,6-bis(chloranyl)phenyl]carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamide

Systemtic Name: 2-[[2,6-bis(chloranyl)phenyl]carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamide Openeye Name: 2-[(2,6-dichlorophenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]acetamide CAS Name: 2-[[(2,6-dichloroanilino)-oxomethyl]-[2-(1-pyrrolidinyl)ethyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methyl-2-thiophenyl)methyl]acetamide IUPAC Name: 2-[(2,6-dichlorophenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[(2,6-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=CC=C4Cl)Cl

Isomeric SMILES

CC1=C(SC=C1)CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)CN(CCN3CCCC3)C(=O)NC4=C(C=CC=C4Cl)Cl

InChI

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