5-[[1-[(4-fluorophenyl)methyl]-2-methyl-indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[1-[(4-fluorophenyl)methyl]-2-methyl-indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-[(4-fluorophenyl)methyl]-2-methyl-indol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-[(4-fluorophenyl)methyl]-2-methyl-3-indolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-(4-fluorobenzyl)-2-methyl-indol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H16FN3O2S MolecularWeight: 393.434043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)F)C=C4C(=O)NC(=S)NC4=O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)F)C=C4C(=O)NC(=S)NC4=O

InChI

InChI=1S/C21H16FN3O2S/c1-12-16(10-17-19(26)23-21(28)24-20(17)27)15-4-2-3-5-18(15)25(12)11-13-6-8-14(22)9-7-13/h2-10H,11H2,1H3,(H2,23,24,26,27,28)