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

Systemtic Name: ethyl 2-[2-(2-methylphenyl)ethanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(o-tolyl)acetyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-methylphenyl)acetyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(o-tolyl)acetyl]thiocarbamoylamino]-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=C1CCCC2)NC(=S)NC(=O)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)CC3=CC=CC=C3C

InChI

InChI=1S/C21H24N2O3S2/c1-3-26-20(25)18-15-10-6-7-11-16(15)28-19(18)23-21(27)22-17(24)12-14-9-5-4-8-13(14)2/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H2,22,23,24,27)