methyl 4-[2-[N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidoyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidoyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(N-benzyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[[methyl-(phenylmethyl)amino]-phenyliminomethyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(N-benzyl-N-methyl-N'-phenylcarbamimidoyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(N-benzyl-N-methyl-N'-phenyl-amidino)thio]acetyl]amino]benzoic acid methyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H25N3O3S/c1-28(17-19-9-5-3-6-10-19)25(27-21-11-7-4-8-12-21)32-18-23(29)26-22-15-13-20(14-16-22)24(30)31-2/h3-16H,17-18H2,1-2H3,(H,26,29)