methyl 2-(cyclopropylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(cyclopropylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(cyclopropylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(cyclopropylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(cyclopropylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(cyclopropylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C14H18N2O2S2 MolecularWeight: 310.43492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3CC3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3CC3

InChI

InChI=1S/C14H18N2O2S2/c1-18-13(17)11-9-4-2-3-5-10(9)20-12(11)16-14(19)15-8-6-7-8/h8H,2-7H2,1H3,(H2,15,16,19)