N-butyl-2-[(3,5-dimethylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-butyl-2-[(3,5-dimethylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-butyl-2-[(3,5-dimethylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-butyl-2-[[(3,5-dimethylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-butyl-2-[(3,5-dimethylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-butyl-2-[(3,5-dimethylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H28N2O2S/c1-4-5-10-23-21(26)19-17-8-6-7-9-18(17)27-22(19)24-20(25)16-12-14(2)11-15(3)13-16/h11-13H,4-10H2,1-3H3,(H,23,26)(H,24,25)