[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate

Systemtic Name: [2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate Openeye Name: 2-(N-cyclohexyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioic acid [2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 2-[(N-cyclohexyl-N-methyl-N'-phenyl-amidino)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C27H33N5O2S MolecularWeight: 491.64822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC(=NC3=CC=CC=C3)N(C)C4CCCCC4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC(=NC3=CC=CC=C3)N(C)C4CCCCC4

InChI

InChI=1S/C27H33N5O2S/c1-20-25(26(34)32(31(20)3)23-17-11-6-12-18-23)29-24(33)19-35-27(28-21-13-7-4-8-14-21)30(2)22-15-9-5-10-16-22/h4,6-8,11-14,17-18,22H,5,9-10,15-16,19H2,1-3H3,(H,29,33)