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

Systemtic Name: 1-butyl-5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-butyl-5-[(1-butylindolin-5-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-butyl-5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-butyl-5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-butyl-5-[(1-butylindolin-5-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC2=C1C=CC(=C2)C=C3C(=O)NC(=S)N(C3=O)CCCC

Isomeric SMILES

CCCCN1CCC2=C1C=CC(=C2)C=C3C(=O)NC(=S)N(C3=O)CCCC

InChI

InChI=1S/C21H27N3O2S/c1-3-5-10-23-12-9-16-13-15(7-8-18(16)23)14-17-19(25)22-21(27)24(20(17)26)11-6-4-2/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,22,25,27)