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

Systemtic Name: methyl 2-[(4-methylpiperazin-1-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H24N4O2S2 MolecularWeight: 368.51736

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C16H24N4O2S2/c1-19-7-9-20(10-8-19)18-16(23)17-14-13(15(21)22-2)11-5-3-4-6-12(11)24-14/h3-10H2,1-2H3,(H2,17,18,23)