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

Systemtic Name: 1-butyl-5-[[1-(3-chloranylpropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-butyl-5-[[1-(3-chloropropyl)indolin-5-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-butyl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-butyl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-butyl-5-[[1-(3-chloropropyl)indolin-5-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H24ClN3O2S MolecularWeight: 405.94146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CC3=C(C=C2)N(CC3)CCCCl)C(=O)NC1=S

Isomeric SMILES

CCCCN1C(=O)C(=CC2=CC3=C(C=C2)N(CC3)CCCCl)C(=O)NC1=S

InChI

InChI=1S/C20H24ClN3O2S/c1-2-3-10-24-19(26)16(18(25)22-20(24)27)13-14-5-6-17-15(12-14)7-11-23(17)9-4-8-21/h5-6,12-13H,2-4,7-11H2,1H3,(H,22,25,27)