3-chloranyl-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(4-methylpiperazin-4-ium-1-carbothioyl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(4-methylpiperazin-4-ium-1-carbothioyl)benzothiophene-2-carboxamide Formula: C15H17ClN3OS2+ MolecularWeight: 354.89798

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C15H16ClN3OS2/c1-18-6-8-19(9-7-18)15(21)17-14(20)13-12(16)10-4-2-3-5-11(10)22-13/h2-5H,6-9H2,1H3,(H,17,20,21)/p+1