[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate

Systemtic Name: [2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-2-(N-cyclohexyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanyl-acetamide CAS Name: N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioic acid [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-2-[(N-cyclohexyl-N-methyl-N'-phenyl-amidino)thio]acetamide Formula: C29H30ClN3O2S MolecularWeight: 520.0854

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H30ClN3O2S/c1-33(24-15-9-4-10-16-24)29(31-23-13-7-3-8-14-23)36-20-27(34)32-26-18-17-22(30)19-25(26)28(35)21-11-5-2-6-12-21/h2-3,5-8,11-14,17-19,24H,4,9-10,15-16,20H2,1H3,(H,32,34)