N-(2,6-dimethylphenyl)-6-methyl-2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-6-methyl-2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-6-methyl-2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(2,6-dimethylphenyl)-6-methyl-2-[(1-oxo-3-phenylpropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(2,6-dimethylphenyl)-6-methyl-2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-2-(hydrocinnamoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NC3=C(C=CC=C3C)C)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)NC3=C(C=CC=C3C)C)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2S/c1-17-12-14-21-22(16-17)32-27(28-23(30)15-13-20-10-5-4-6-11-20)24(21)26(31)29-25-18(2)8-7-9-19(25)3/h4-11,17H,12-16H2,1-3H3,(H,28,30)(H,29,31)