(5E)-5-[[5-methoxy-4-(3-methylbutoxy)-2-nitro-phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-5-[[5-methoxy-4-(3-methylbutoxy)-2-nitro-phenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-5-[(4-isopentyloxy-5-methoxy-2-nitro-phenyl)methylene]-1-(1-naphthyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[[5-methoxy-4-(3-methylbutoxy)-2-nitrophenyl]methylidene]-1-(1-naphthalenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[[5-methoxy-4-(3-methylbutoxy)-2-nitrophenyl]methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-5-(4-isoamoxy-5-methoxy-2-nitro-benzylidene)-1-(1-naphthyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C27H25N3O6S MolecularWeight: 519.5689

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC4=CC=CC=C43)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C(=C1)[N+](=O)[O-])/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=CC4=CC=CC=C43)OC

InChI

InChI=1S/C27H25N3O6S/c1-16(2)11-12-36-24-15-22(30(33)34)18(14-23(24)35-3)13-20-25(31)28-27(37)29(26(20)32)21-10-6-8-17-7-4-5-9-19(17)21/h4-10,13-16H,11-12H2,1-3H3,(H,28,31,37)/b20-13+