ethyl 2-[(4-methylpiperazin-1-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-methylpiperazin-1-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-methylpiperazin-1-yl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(4-methyl-1-piperazinyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methylpiperazin-1-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-methylpiperazino)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H26N4O2S2 MolecularWeight: 382.54394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NN3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NN3CCN(CC3)C

InChI

InChI=1S/C17H26N4O2S2/c1-3-23-16(22)14-12-6-4-5-7-13(12)25-15(14)18-17(24)19-21-10-8-20(2)9-11-21/h3-11H2,1-2H3,(H2,18,19,24)