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

Systemtic Name: methyl 2-(3-methoxypropylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(3-methoxypropylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3-methoxypropylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-methoxypropylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(3-methoxypropylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C15H22N2O3S2 MolecularWeight: 342.47678

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OC

Isomeric SMILES

COCCCNC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OC

InChI

InChI=1S/C15H22N2O3S2/c1-19-9-5-8-16-15(21)17-13-12(14(18)20-2)10-6-3-4-7-11(10)22-13/h3-9H2,1-2H3,(H2,16,17,21)