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

Systemtic Name: N-butyl-2-[(2,3-dimethylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-butyl-2-[(2,3-dimethylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-butyl-2-[[(2,3-dimethylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-butyl-2-[(2,3-dimethylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-butyl-2-[(2,3-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=C(C(=CC=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S/c1-4-5-13-23-21(26)19-17-10-6-7-12-18(17)27-22(19)24-20(25)16-11-8-9-14(2)15(16)3/h8-9,11H,4-7,10,12-13H2,1-3H3,(H,23,26)(H,24,25)