methyl 2-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[3-(2-chlorophenyl)-1-oxopropyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(2-chlorophenyl)propanoylthiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H21ClN2O3S2 MolecularWeight: 436.97534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)CCC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)CCC3=CC=CC=C3Cl

InChI

InChI=1S/C20H21ClN2O3S2/c1-26-19(25)17-13-7-3-5-9-15(13)28-18(17)23-20(27)22-16(24)11-10-12-6-2-4-8-14(12)21/h2,4,6,8H,3,5,7,9-11H2,1H3,(H2,22,23,24,27)