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

Systemtic Name: N-tert-butyl-2-[(3-methylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-tert-butyl-2-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-tert-butyl-2-[[(3-methylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-tert-butyl-2-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-tert-butyl-2-(m-toluoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC(C)(C)C

InChI

InChI=1S/C21H26N2O2S/c1-13-8-7-9-14(12-13)18(24)22-20-17(19(25)23-21(2,3)4)15-10-5-6-11-16(15)26-20/h7-9,12H,5-6,10-11H2,1-4H3,(H,22,24)(H,23,25)