N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-ethylphenyl)carbamoyl-(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-ethylphenyl)carbamoyl-(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-ethylphenyl)carbamoyl-isobutyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(4-ethylanilino)-oxomethyl]-(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-ethylphenyl)carbamoyl-(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[(4-ethylphenyl)carbamoyl-isobutyl-amino]-N-homoveratryl-N-(2-thenyl)acetamide Formula: C30H39N3O4S MolecularWeight: 537.71336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N(CC(C)C)CC(=O)N(CCC2=CC(=C(C=C2)OC)OC)CC3=CC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N(CC(C)C)CC(=O)N(CCC2=CC(=C(C=C2)OC)OC)CC3=CC=CS3

InChI

InChI=1S/C30H39N3O4S/c1-6-23-9-12-25(13-10-23)31-30(35)33(19-22(2)3)21-29(34)32(20-26-8-7-17-38-26)16-15-24-11-14-27(36-4)28(18-24)37-5/h7-14,17-18,22H,6,15-16,19-21H2,1-5H3,(H,31,35)