2-[N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidoyl]sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-[N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidoyl]sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-(N-benzyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanyl-2-phenyl-acetic acid CAS Name: 2-[[[methyl-(phenylmethyl)amino]-phenyliminomethyl]thio]-2-phenylacetic acid IUPAC Name: 2-(N-benzyl-N-methyl-N'-phenylcarbamimidoyl)sulfanyl-2-phenylacetic acid Traditional Name: 2-[(N-benzyl-N-methyl-N'-phenyl-amidino)thio]-2-phenyl-acetic acid Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=NC2=CC=CC=C2)SC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=NC2=CC=CC=C2)SC(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H22N2O2S/c1-25(17-18-11-5-2-6-12-18)23(24-20-15-9-4-10-16-20)28-21(22(26)27)19-13-7-3-8-14-19/h2-16,21H,17H2,1H3,(H,26,27)