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

Systemtic Name: methyl 2-[2-(N-cyclohexyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(N-cyclohexyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[[cyclohexyl(methyl)amino]-phenyliminomethyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(N-cyclohexyl-N-methyl-N'-phenylcarbamimidoyl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(N-cyclohexyl-N-methyl-N'-phenyl-amidino)thio]acetyl]amino]benzoic acid methyl ester Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H29N3O3S/c1-27(19-13-7-4-8-14-19)24(25-18-11-5-3-6-12-18)31-17-22(28)26-21-16-10-9-15-20(21)23(29)30-2/h3,5-6,9-12,15-16,19H,4,7-8,13-14,17H2,1-2H3,(H,26,28)