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

Systemtic Name: methyl 2-(dipentylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(dipentylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(dipentylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(dipentylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(diamylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H34N2O2S2 MolecularWeight: 410.63686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OC

Isomeric SMILES

CCCCCN(CCCCC)C(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OC

InChI

InChI=1S/C21H34N2O2S2/c1-4-6-10-14-23(15-11-7-5-2)21(26)22-19-18(20(24)25-3)16-12-8-9-13-17(16)27-19/h4-15H2,1-3H3,(H,22,26)