3-phenyl-N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]propanamide

Systemtic Name: 3-phenyl-N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-phenyl-propanamide CAS Name: 3-phenyl-N-[[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-3-phenyl-propionamide Formula: C27H31N4OS+ MolecularWeight: 459.62624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=S)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=S)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H30N4OS/c32-26(16-11-22-7-3-1-4-8-22)29-27(33)28-24-12-14-25(15-13-24)31-19-17-30(18-20-31)21-23-9-5-2-6-10-23/h1-10,12-15H,11,16-21H2,(H2,28,29,32,33)/p+1