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

Systemtic Name: methyl 2-(dipropylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(dipropylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(dipropylamino)-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(dipropylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(dipropylthiocarbamoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H28N2O2S2 MolecularWeight: 368.55712

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=S)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OC

Isomeric SMILES

CCCN(CCC)C(=S)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OC

InChI

InChI=1S/C18H28N2O2S2/c1-5-9-20(10-6-2)18(23)19-16-15(17(21)22-4)13-8-7-12(3)11-14(13)24-16/h12H,5-11H2,1-4H3,(H,19,23)