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

Systemtic Name: 5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(3-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[4-(azepan-1-yl)phenyl]methylene]-1-(3-bromophenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-(1-azepanyl)phenyl]methylidene]-1-(3-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(3-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[4-(azepan-1-yl)benzylidene]-1-(3-bromophenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H22BrN3O2S MolecularWeight: 484.40868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C23H22BrN3O2S/c24-17-6-5-7-19(15-17)27-22(29)20(21(28)25-23(27)30)14-16-8-10-18(11-9-16)26-12-3-1-2-4-13-26/h5-11,14-15H,1-4,12-13H2,(H,25,28,30)