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

Systemtic Name: methyl 2-(hexanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(hexanoylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(hexanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(caproylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H24N2O3S2 MolecularWeight: 368.51406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3S2/c1-3-4-5-10-13(20)18-17(23)19-15-14(16(21)22-2)11-8-6-7-9-12(11)24-15/h3-10H2,1-2H3,(H2,18,19,20,23)