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

Systemtic Name: 1-cyclohexyl-5-[(1-methylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-cyclohexyl-5-[(1-methylpyrrol-2-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-cyclohexyl-5-[(1-methyl-2-pyrrolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-cyclohexyl-5-[(1-methylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-cyclohexyl-5-[(1-methylpyrrol-2-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=C2C(=O)NC(=S)N(C2=O)C3CCCCC3

Isomeric SMILES

CN1C=CC=C1C=C2C(=O)NC(=S)N(C2=O)C3CCCCC3

InChI

InChI=1S/C16H19N3O2S/c1-18-9-5-8-12(18)10-13-14(20)17-16(22)19(15(13)21)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,17,20,22)