N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enyl-amino]-N-[(3-methylthiophen-2-yl)methyl]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enyl-amino]-N-[(3-methylthiophen-2-yl)methyl]ethanamide Openeye Name: 2-[allyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[[4-(methylthio)anilino]-oxomethyl]-prop-2-enylamino]-N-[(3-methyl-2-thiophenyl)methyl]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[allyl-[[4-(methylthio)phenyl]carbamoyl]amino]-N-homoveratryl-N-[(3-methyl-2-thienyl)methyl]acetamide Formula: C29H35N3O4S2 MolecularWeight: 553.7359

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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(CC=C)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(SC=C1)CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)CN(CC=C)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C29H35N3O4S2/c1-6-15-32(29(34)30-23-8-10-24(37-5)11-9-23)20-28(33)31(19-27-21(2)14-17-38-27)16-13-22-7-12-25(35-3)26(18-22)36-4/h6-12,14,17-18H,1,13,15-16,19-20H2,2-5H3,(H,30,34)