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

Systemtic Name: 1-butyl-5-[(1-methylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-butyl-5-[(1-methylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-butyl-5-[(1-methyl-3-indolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-butyl-5-[(1-methylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-butyl-5-[(1-methylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)C)C(=O)NC1=S

Isomeric SMILES

CCCCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)C)C(=O)NC1=S

InChI

InChI=1S/C18H19N3O2S/c1-3-4-9-21-17(23)14(16(22)19-18(21)24)10-12-11-20(2)15-8-6-5-7-13(12)15/h5-8,10-11H,3-4,9H2,1-2H3,(H,19,22,24)