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

Systemtic Name: [2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioate Openeye Name: 2-(N-benzyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioic 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-benzyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 2-[(N-benzyl-N-methyl-N'-phenyl-amidino)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C28H29N5O2S MolecularWeight: 499.62716

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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)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC(=NC3=CC=CC=C3)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C28H29N5O2S/c1-21-26(27(35)33(32(21)3)24-17-11-6-12-18-24)30-25(34)20-36-28(29-23-15-9-5-10-16-23)31(2)19-22-13-7-4-8-14-22/h4-18H,19-20H2,1-3H3,(H,30,34)