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

Systemtic Name: (4R,5S)-N-(4-fluorophenyl)-4-(3-methoxy-4-oxidanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4R,5S)-N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4R,5S)-N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4R,5S)-N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4R,5S)-N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C19H18FN3O3S MolecularWeight: 387.427923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(C(=C)NC(=S)N2)C(=O)NC3=CC=C(C=C3)F)O

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H]2[C@@H](C(=C)NC(=S)N2)C(=O)NC3=CC=C(C=C3)F)O

InChI

InChI=1S/C19H18FN3O3S/c1-10-16(18(25)22-13-6-4-12(20)5-7-13)17(23-19(27)21-10)11-3-8-14(24)15(9-11)26-2/h3-9,16-17,24H,1H2,2H3,(H,22,25)(H2,21,23,27)/t16-,17+/m1/s1