2-[N'-(4-methoxyphenyl)-N-methyl-N-(phenylmethyl)carbamimidoyl]sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-[N'-(4-methoxyphenyl)-N-methyl-N-(phenylmethyl)carbamimidoyl]sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-[N-benzyl-N'-(4-methoxyphenyl)-N-methyl-carbamimidoyl]sulfanyl-2-phenyl-acetic acid CAS Name: 2-[[(4-methoxyphenyl)imino-[methyl-(phenylmethyl)amino]methyl]thio]-2-phenylacetic acid IUPAC Name: 2-[N-benzyl-N'-(4-methoxyphenyl)-N-methylcarbamimidoyl]sulfanyl-2-phenylacetic acid Traditional Name: 2-[[N-benzyl-N'-(4-methoxyphenyl)-N-methyl-amidino]thio]-2-phenyl-acetic acid Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O3S/c1-26(17-18-9-5-3-6-10-18)24(25-20-13-15-21(29-2)16-14-20)30-22(23(27)28)19-11-7-4-8-12-19/h3-16,22H,17H2,1-2H3,(H,27,28)