6-methyl-2-[(2-methylphenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-methyl-2-[(2-methylphenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-methyl-2-[(2-methylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-methyl-2-[[[[(2-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-methyl-2-[(2-methylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-methyl-2-(o-toluoylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C19H21N3O2S2/c1-10-7-8-13-14(9-10)26-18(15(13)16(20)23)22-19(25)21-17(24)12-6-4-3-5-11(12)2/h3-6,10H,7-9H2,1-2H3,(H2,20,23)(H2,21,22,24,25)