5-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)C=C4C(=O)NC(=S)NC4=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)C=C4C(=O)NC(=S)NC4=O)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O4S/c25-18-15(19(26)22-20(29)21-18)9-12-5-6-16(17(10-12)24(27)28)23-8-7-13-3-1-2-4-14(13)11-23/h1-6,9-10H,7-8,11H2,(H2,21,22,25,26,29)