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

Systemtic Name: 1-(2-methylphenyl)-5-[(1-propylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(o-tolyl)-5-[(1-propylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(2-methylphenyl)-5-[(1-propyl-3-indolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(2-methylphenyl)-5-[(1-propylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(o-tolyl)-5-[(1-propylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4C

Isomeric SMILES

CCCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4C

InChI

InChI=1S/C23H21N3O2S/c1-3-12-25-14-16(17-9-5-7-11-20(17)25)13-18-21(27)24-23(29)26(22(18)28)19-10-6-4-8-15(19)2/h4-11,13-14H,3,12H2,1-2H3,(H,24,27,29)