2-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-N-propan-2-yl-ethanamide Openeye Name: 2-[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-N-isopropyl-acetamide CAS Name: 2-[[2-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-N-propan-2-ylacetamide Traditional Name: 2-[[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]thio]-N-isopropyl-acetamide Formula: C21H27ClN3O2S2+ MolecularWeight: 453.04098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C21H26ClN3O2S2/c1-15(2)23-20(26)14-28-18-6-4-3-5-17(18)21(27)25-11-9-24(10-12-25)13-16-7-8-19(22)29-16/h3-8,15H,9-14H2,1-2H3,(H,23,26)/p+1