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

Systemtic Name: 2,2-diphenyl-N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2,2-diphenyl-propanamide CAS Name: 2,2-diphenyl-N-[[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2,2-diphenylpropanamide Traditional Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-2,2-diphenyl-propionamide Formula: C33H35N4OS+ MolecularWeight: 535.7222

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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)CC5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC=C(C=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C33H34N4OS/c1-33(27-13-7-3-8-14-27,28-15-9-4-10-16-28)31(38)35-32(39)34-29-17-19-30(20-18-29)37-23-21-36(22-24-37)25-26-11-5-2-6-12-26/h2-20H,21-25H2,1H3,(H2,34,35,38,39)/p+1