4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenyl-ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenyl-ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenyl-ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]-N-phenyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]-N-phenylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenyl-ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide Formula: C25H28ClN4O2S2+ MolecularWeight: 516.09842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=S)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C25H27ClN4O2S2/c26-21-11-13-23(14-12-21)34(31,32)27-19-24(20-7-3-1-4-8-20)29-15-17-30(18-16-29)25(33)28-22-9-5-2-6-10-22/h1-14,24,27H,15-19H2,(H,28,33)/p+1/t24-/m1/s1