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

Systemtic Name: ethyl 6-methyl-2-[(2-methylphenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[(2-methylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[[[(2-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[(2-methylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-(o-toluoylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C21H24N2O3S2/c1-4-26-20(25)17-15-10-9-12(2)11-16(15)28-19(17)23-21(27)22-18(24)14-8-6-5-7-13(14)3/h5-8,12H,4,9-11H2,1-3H3,(H2,22,23,24,27)