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

Systemtic Name: 2-[(4-cyanophenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamide Openeye Name: 2-[(4-cyanophenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]acetamide CAS Name: 2-[[(4-cyanoanilino)-oxomethyl]-[2-(1-pyrrolidinyl)ethyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methyl-2-thiophenyl)methyl]acetamide IUPAC Name: 2-[(4-cyanophenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[(4-cyanophenyl)carbamoyl-(2-pyrrolidinoethyl)amino]-N-homoveratryl-N-[(3-methyl-2-thienyl)methyl]acetamide Formula: C32H39N5O4S MolecularWeight: 589.74816

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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)C#N

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)C#N

InChI

InChI=1S/C32H39N5O4S/c1-24-13-19-42-30(24)22-36(16-12-25-8-11-28(40-2)29(20-25)41-3)31(38)23-37(18-17-35-14-4-5-15-35)32(39)34-27-9-6-26(21-33)7-10-27/h6-11,13,19-20H,4-5,12,14-18,22-23H2,1-3H3,(H,34,39)