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

Systemtic Name: 5-[[1-[(4-bromophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-[(4-bromophenyl)methyl]indol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-[(4-bromophenyl)methyl]-3-indolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-[(4-bromophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-(4-bromobenzyl)indol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H14BrN3O2S MolecularWeight: 440.31306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Br)C=C4C(=O)NC(=S)NC4=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Br)C=C4C(=O)NC(=S)NC4=O

InChI

InChI=1S/C20H14BrN3O2S/c21-14-7-5-12(6-8-14)10-24-11-13(15-3-1-2-4-17(15)24)9-16-18(25)22-20(27)23-19(16)26/h1-9,11H,10H2,(H2,22,23,25,26,27)