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

Systemtic Name: 5-[[4-(azepan-1-yl)phenyl]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[4-(azepan-1-yl)phenyl]methylene]-1-cyclopropyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-(1-azepanyl)phenyl]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[4-(azepan-1-yl)phenyl]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[4-(azepan-1-yl)benzylidene]-1-cyclopropyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H23N3O2S MolecularWeight: 369.48052

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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)C4CC4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)C=C3C(=O)NC(=S)N(C3=O)C4CC4

InChI

InChI=1S/C20H23N3O2S/c24-18-17(19(25)23(16-9-10-16)20(26)21-18)13-14-5-7-15(8-6-14)22-11-3-1-2-4-12-22/h5-8,13,16H,1-4,9-12H2,(H,21,24,26)