2-methyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-2-yl]benzamide

Systemtic Name: 2-methyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-2-yl]benzamide Openeye Name: N-[(1S)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-3-methylsulfanyl-propyl]-2-methyl-benzamide CAS Name: 2-methyl-N-[(2S)-4-(methylthio)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]butan-2-yl]benzamide IUPAC Name: 2-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-2-yl]benzamide Traditional Name: N-[(1S)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-3-(methylthio)propyl]-2-methyl-benzamide Formula: C26H34N3O2S+ MolecularWeight: 452.63206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(CCSC)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](CCSC)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C26H33N3O2S/c1-21-9-6-7-13-23(21)25(30)27-24(14-20-32-2)26(31)29-18-16-28(17-19-29)15-8-12-22-10-4-3-5-11-22/h3-13,24H,14-20H2,1-2H3,(H,27,30)/p+1/b12-8+/t24-/m0/s1