N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)propionamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC(=S)N1CCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)(C)C

Isomeric SMILES

CC1CC(NC(=S)N1CCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)(C)C

InChI

InChI=1S/C21H29N5O2S/c1-14-13-21(3,4)23-20(29)25(14)12-11-17(27)22-18-15(2)24(5)26(19(18)28)16-9-7-6-8-10-16/h6-10,14H,11-13H2,1-5H3,(H,22,27)(H,23,29)