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

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate Openeye Name: 2-(N-cyclohexyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanyl-N-(2-methyl-4-nitro-phenyl)acetamide CAS Name: N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 2-[(N-cyclohexyl-N-methyl-N'-phenyl-amidino)thio]-N-(2-methyl-4-nitro-phenyl)acetamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC(=NC2=CC=CC=C2)N(C)C3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC(=NC2=CC=CC=C2)N(C)C3CCCCC3

InChI

InChI=1S/C23H28N4O3S/c1-17-15-20(27(29)30)13-14-21(17)25-22(28)16-31-23(24-18-9-5-3-6-10-18)26(2)19-11-7-4-8-12-19/h3,5-6,9-10,13-15,19H,4,7-8,11-12,16H2,1-2H3,(H,25,28)