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

Systemtic Name: methyl 2-(3-methylbutylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(isopentylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3-methylbutylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-methylbutylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(isoamylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C16H24N2O2S2 MolecularWeight: 340.50396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OC

Isomeric SMILES

CC(C)CCNC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OC

InChI

InChI=1S/C16H24N2O2S2/c1-10(2)8-9-17-16(21)18-14-13(15(19)20-3)11-6-4-5-7-12(11)22-14/h10H,4-9H2,1-3H3,(H2,17,18,21)