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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,3-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,3-dimethylphenyl)carbamoyl-isobutyl-amino]-N-[(3-methyl-2-thienyl)methyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2,3-dimethylanilino)-oxomethyl]-(2-methylpropyl)amino]-N-[(3-methyl-2-thiophenyl)methyl]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,3-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[(2,3-dimethylphenyl)carbamoyl-isobutyl-amino]-N-homoveratryl-N-[(3-methyl-2-thienyl)methyl]acetamide Formula: C31H41N3O4S MolecularWeight: 551.73994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)N(CC(C)C)CC(=O)N(CCC2=CC(=C(C=C2)OC)OC)CC3=C(C=CS3)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)N(CC(C)C)CC(=O)N(CCC2=CC(=C(C=C2)OC)OC)CC3=C(C=CS3)C)C

InChI

InChI=1S/C31H41N3O4S/c1-21(2)18-34(31(36)32-26-10-8-9-22(3)24(26)5)20-30(35)33(19-29-23(4)14-16-39-29)15-13-25-11-12-27(37-6)28(17-25)38-7/h8-12,14,16-17,21H,13,15,18-20H2,1-7H3,(H,32,36)