1-hexyl-5-[(1-methylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-hexyl-5-[(1-methylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-hexyl-5-[(1-methylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-hexyl-5-[(1-methyl-3-indolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-hexyl-5-[(1-methylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-hexyl-5-[(1-methylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)C)C(=O)NC1=S

Isomeric SMILES

CCCCCCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)C)C(=O)NC1=S

InChI

InChI=1S/C20H23N3O2S/c1-3-4-5-8-11-23-19(25)16(18(24)21-20(23)26)12-14-13-22(2)17-10-7-6-9-15(14)17/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,21,24,26)