N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2,2-diphenyl-propanamide

Systemtic Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2,2-diphenyl-propanamide Openeye Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2,2-diphenyl-propanamide CAS Name: N-[[4-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-2,2-diphenylpropanamide IUPAC Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2,2-diphenylpropanamide Traditional Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-2,2-diphenyl-propionamide Formula: C27H31N4OS+ MolecularWeight: 459.62624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C27H30N4OS/c1-27(21-9-5-3-6-10-21,22-11-7-4-8-12-22)25(32)29-26(33)28-23-13-15-24(16-14-23)31-19-17-30(2)18-20-31/h3-16H,17-20H2,1-2H3,(H2,28,29,32,33)/p+1