methyl (3R)-3-[N'-(4-methylphenyl)-N-phenyl-carbamimidoyl]sulfanyl-2-oxidanylidene-3-phenyl-propanoate

Systemtic Name: methyl (3R)-3-[N'-(4-methylphenyl)-N-phenyl-carbamimidoyl]sulfanyl-2-oxidanylidene-3-phenyl-propanoate Openeye Name: methyl (3R)-2-oxo-3-phenyl-3-[N-phenyl-N'-(p-tolyl)carbamimidoyl]sulfanyl-propanoate CAS Name: (3R)-3-[[anilino-(4-methylphenyl)iminomethyl]thio]-2-oxo-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3R)-3-[N'-(4-methylphenyl)-N-phenylcarbamimidoyl]sulfanyl-2-oxo-3-phenylpropanoate Traditional Name: (3R)-2-keto-3-phenyl-3-[[N-phenyl-N'-(p-tolyl)amidino]thio]propionic acid methyl ester Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)N=C(NC2=CC=CC=C2)S[C@H](C3=CC=CC=C3)C(=O)C(=O)OC

InChI

InChI=1S/C24H22N2O3S/c1-17-13-15-20(16-14-17)26-24(25-19-11-7-4-8-12-19)30-22(21(27)23(28)29-2)18-9-5-3-6-10-18/h3-16,22H,1-2H3,(H,25,26)/t22-/m1/s1