N-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-chloranyl-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-chloranyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2-chloro-phenyl]thiophene-2-carboxamide CAS Name: N-[5-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-chlorophenyl]-2-thiophenecarboxamide IUPAC Name: N-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide Traditional Name: N-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2-chloro-phenyl]thiophene-2-carboxamide Formula: C24H22ClN4O2S2+ MolecularWeight: 498.04008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC(=C(C=C4)Cl)NC(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC(=C(C=C4)Cl)NC(=O)C5=CC=CS5

InChI

InChI=1S/C24H21ClN4O2S2/c25-17-8-7-16(14-19(17)27-23(30)21-6-3-13-32-21)24(31)29-11-9-28(10-12-29)15-22-26-18-4-1-2-5-20(18)33-22/h1-8,13-14H,9-12,15H2,(H,27,30)/p+1