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

Systemtic Name: (4S,5R)-4-(3-ethoxy-4-oxidanyl-phenyl)-N-(4-fluorophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4S,5R)-4-(3-ethoxy-4-hydroxy-phenyl)-N-(4-fluorophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4S,5R)-4-(3-ethoxy-4-hydroxyphenyl)-N-(4-fluorophenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4S,5R)-4-(3-ethoxy-4-hydroxyphenyl)-N-(4-fluorophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4S,5R)-4-(3-ethoxy-4-hydroxy-phenyl)-N-(4-fluorophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C(=C)NC(=S)N2)C(=O)NC3=CC=C(C=C3)F)O

Isomeric SMILES

CCOC1=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/C20H20FN3O3S/c1-3-27-16-10-12(4-9-15(16)25)18-17(11(2)22-20(28)24-18)19(26)23-14-7-5-13(21)6-8-14/h4-10,17-18,25H,2-3H2,1H3,(H,23,26)(H2,22,24,28)/t17-,18+/m0/s1