dimethyl 2-[2-[N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidoyl]sulfanylethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidoyl]sulfanylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(N-benzyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[[[methyl-(phenylmethyl)amino]-phenyliminomethyl]thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(N-benzyl-N-methyl-N'-phenylcarbamimidoyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(N-benzyl-N-methyl-N'-phenyl-amidino)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C27H27N3O5S MolecularWeight: 505.58538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O5S/c1-30(17-19-10-6-4-7-11-19)27(28-21-12-8-5-9-13-21)36-18-24(31)29-23-16-20(25(32)34-2)14-15-22(23)26(33)35-3/h4-16H,17-18H2,1-3H3,(H,29,31)