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

Systemtic Name: (5S,6R)-N-(2-fluorophenyl)-4-methylidene-6-(4-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (5S,6R)-N-(2-fluorophenyl)-4-methylene-6-(4-nitrophenyl)-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (5S,6R)-N-(2-fluorophenyl)-4-methylene-6-(4-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (5S,6R)-N-(2-fluorophenyl)-4-methylidene-6-(4-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (5S,6R)-N-(2-fluorophenyl)-4-methylene-6-(4-nitrophenyl)-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C18H15FN4O3S MolecularWeight: 386.400103

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=S)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3F

Isomeric SMILES

C=C1[C@H]([C@@H](NC(=S)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C18H15FN4O3S/c1-10-15(17(24)21-14-5-3-2-4-13(14)19)16(22-18(27)20-10)11-6-8-12(9-7-11)23(25)26/h2-9,15-16H,1H2,(H,21,24)(H2,20,22,27)/t15-,16+/m1/s1