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

Systemtic Name: (5R,6S)-N-(2-fluorophenyl)-4-methylidene-6-(3-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (5R,6S)-N-(2-fluorophenyl)-4-methylene-6-(3-nitrophenyl)-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (5R,6S)-N-(2-fluorophenyl)-4-methylene-6-(3-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (5R,6S)-N-(2-fluorophenyl)-4-methylidene-6-(3-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (5R,6S)-N-(2-fluorophenyl)-4-methylene-6-(3-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(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3F

Isomeric SMILES

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

InChI

InChI=1S/C18H15FN4O3S/c1-10-15(17(24)21-14-8-3-2-7-13(14)19)16(22-18(27)20-10)11-5-4-6-12(9-11)23(25)26/h2-9,15-16H,1H2,(H,21,24)(H2,20,22,27)/t15-,16+/m0/s1