(5R)-5-heptyl-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5R)-5-heptyl-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5R)-5-heptyl-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5R)-5-heptyl-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5R)-5-heptyl-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5R)-5-heptyl-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(=O)NC(=S)N(C1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC[C@@H]1C(=O)NC(=S)N(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C17H22N2O2S/c1-2-3-4-5-9-12-14-15(20)18-17(22)19(16(14)21)13-10-7-6-8-11-13/h6-8,10-11,14H,2-5,9,12H2,1H3,(H,18,20,22)/t14-/m1/s1