(E)-3-phenyl-N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-phenyl-N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-3-phenyl-N-[[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C27H29N4OS+ MolecularWeight: 457.61036

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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)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4OS/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/h1-16H,17-21H2,(H2,28,29,32,33)/p+1/b16-11+