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

Systemtic Name: 5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[4-(azepan-1-yl)phenyl]methylene]-1-(1-naphthyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-(1-azepanyl)phenyl]methylidene]-1-(1-naphthalenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[4-(azepan-1-yl)phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[4-(azepan-1-yl)benzylidene]-1-(1-naphthyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C27H25N3O2S MolecularWeight: 455.5713

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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=CC5=CC=CC=C54

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H25N3O2S/c31-25-23(18-19-12-14-21(15-13-19)29-16-5-1-2-6-17-29)26(32)30(27(33)28-25)24-11-7-9-20-8-3-4-10-22(20)24/h3-4,7-15,18H,1-2,5-6,16-17H2,(H,28,31,33)