(5R)-1-(2,4-dimethylphenyl)-5-(phenethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5R)-1-(2,4-dimethylphenyl)-5-(phenethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5R)-1-(2,4-dimethylphenyl)-5-(phenethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5R)-1-(2,4-dimethylphenyl)-5-(phenethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5R)-1-(2,4-dimethylphenyl)-5-(phenethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5R)-1-(2,4-dimethylphenyl)-5-(phenethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C(C(=O)NC2=S)C=NCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)[C@@H](C(=O)NC2=S)C=NCCC3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O2S/c1-14-8-9-18(15(2)12-14)24-20(26)17(19(25)23-21(24)27)13-22-11-10-16-6-4-3-5-7-16/h3-9,12-13,17H,10-11H2,1-2H3,(H,23,25,27)/t17-/m1/s1