3-[N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidoyl]sulfanylpropanoate

Systemtic Name: 3-[N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidoyl]sulfanylpropanoate Openeye Name: 3-(N-benzyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanylpropanoate CAS Name: 3-[[[methyl-(phenylmethyl)amino]-phenyliminomethyl]thio]propanoate IUPAC Name: 3-(N-benzyl-N-methyl-N'-phenylcarbamimidoyl)sulfanylpropanoate Traditional Name: 3-[(N-benzyl-N-methyl-N'-phenyl-amidino)thio]propionate Formula: C18H19N2O2S- MolecularWeight: 327.42066

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=NC2=CC=CC=C2)SCCC(=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=NC2=CC=CC=C2)SCCC(=O)[O-]

InChI

InChI=1S/C18H20N2O2S/c1-20(14-15-8-4-2-5-9-15)18(23-13-12-17(21)22)19-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,21,22)/p-1