(5S,6R)-N-(4-fluorophenyl)-4-methylidene-6-(3-nitro-2-oxidanyl-phenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: (5S,6R)-N-(4-fluorophenyl)-4-methylidene-6-(3-nitro-2-oxidanyl-phenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4R,5S)-N-(4-fluorophenyl)-4-(2-hydroxy-3-nitro-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4R,5S)-N-(4-fluorophenyl)-4-(2-hydroxy-3-nitrophenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4R,5S)-N-(4-fluorophenyl)-4-(2-hydroxy-3-nitrophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4R,5S)-N-(4-fluorophenyl)-4-(2-hydroxy-3-nitro-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C18H15FN4O4S MolecularWeight: 402.399503

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=S)N1)C2=C(C(=CC=C2)[N+](=O)[O-])O)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C=C1[C@H]([C@@H](NC(=S)N1)C2=C(C(=CC=C2)[N+](=O)[O-])O)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C18H15FN4O4S/c1-9-14(17(25)21-11-7-5-10(19)6-8-11)15(22-18(28)20-9)12-3-2-4-13(16(12)24)23(26)27/h2-8,14-15,24H,1H2,(H,21,25)(H2,20,22,28)/t14-,15+/m1/s1