3-chloranyl-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]benzothiophene-2-carboxamide Formula: C16H19ClN3O2S2+ MolecularWeight: 384.92396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C16H18ClN3O2S2/c17-13-11-3-1-2-4-12(11)24-14(13)15(22)18-16(23)20-7-5-19(6-8-20)9-10-21/h1-4,21H,5-10H2,(H,18,22,23)/p+1