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

Systemtic Name: dimethyl 2-[2-(N-cyclohexyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(N-cyclohexyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[[[cyclohexyl(methyl)amino]-phenyliminomethyl]thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(N-cyclohexyl-N-methyl-N'-phenylcarbamimidoyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(N-cyclohexyl-N-methyl-N'-phenyl-amidino)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C26H31N3O5S/c1-29(20-12-8-5-9-13-20)26(27-19-10-6-4-7-11-19)35-17-23(30)28-22-16-18(24(31)33-2)14-15-21(22)25(32)34-3/h4,6-7,10-11,14-16,20H,5,8-9,12-13,17H2,1-3H3,(H,28,30)