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

Systemtic Name: methyl 2-[(4-methylpiperazin-4-ium-1-yl)carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(4-methylpiperazin-4-ium-1-carbothioyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methylpiperazin-4-ium-1-carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-methylpiperazin-4-ium-1-carbothioyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C16H24N3O2S2+ MolecularWeight: 354.51066

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C16H23N3O2S2/c1-18-7-9-19(10-8-18)16(22)17-14-13(15(20)21-2)11-5-3-4-6-12(11)23-14/h3-10H2,1-2H3,(H,17,22)/p+1