N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,6-dimethylphenyl)carbamoyl-isobutyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2,6-dimethylanilino)-oxomethyl]-(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[(2,6-dimethylphenyl)carbamoyl-isobutyl-amino]-N-homoveratryl-N-(2-thenyl)acetamide Formula: C30H39N3O4S MolecularWeight: 537.71336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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