5-pentanoyl-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-pentanoyl-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-pentanoyl-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(1-oxopentyl)-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-pentanoyl-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-diphenyl-2-thioxo-5-valeryl-hexahydropyrimidine-4,6-quinone Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1C(=O)N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)C1C(=O)N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-2-3-14-17(24)18-19(25)22(15-10-6-4-7-11-15)21(27)23(20(18)26)16-12-8-5-9-13-16/h4-13,18H,2-3,14H2,1H3