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

Systemtic Name: methyl 2-(butan-2-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(sec-butylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(butan-2-ylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(butan-2-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(sec-butylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C15H22N2O2S2 MolecularWeight: 326.47738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OC

Isomeric SMILES

CCC(C)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OC

InChI

InChI=1S/C15H22N2O2S2/c1-4-9(2)16-15(20)17-13-12(14(18)19-3)10-7-5-6-8-11(10)21-13/h9H,4-8H2,1-3H3,(H2,16,17,20)