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

Systemtic Name: (5E)-1-butan-2-yl-5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-5-[(1-butylindolin-5-yl)methylene]-1-sec-butyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-butan-2-yl-5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-butan-2-yl-5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-5-[(1-butylindolin-5-yl)methylene]-1-sec-butyl-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)C(C)CC

Isomeric SMILES

CCCCN1CCC2=C1C=CC(=C2)/C=C/3\C(=O)NC(=S)N(C3=O)C(C)CC

InChI

InChI=1S/C21H27N3O2S/c1-4-6-10-23-11-9-16-12-15(7-8-18(16)23)13-17-19(25)22-21(27)24(20(17)26)14(3)5-2/h7-8,12-14H,4-6,9-11H2,1-3H3,(H,22,25,27)/b17-13+