(5R,6S)-N-[3,4-bis(fluoranyl)phenyl]-4-methylidene-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carboxamide

Systemtic Name: (5R,6S)-N-[3,4-bis(fluoranyl)phenyl]-4-methylidene-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carboxamide Openeye Name: (5R,6S)-N-(3,4-difluorophenyl)-4-methylene-2-thioxo-6-(3,4,5-trimethoxyphenyl)hexahydropyrimidine-5-carboxamide CAS Name: (5R,6S)-N-(3,4-difluorophenyl)-4-methylene-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carboxamide IUPAC Name: (5R,6S)-N-(3,4-difluorophenyl)-4-methylidene-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carboxamide Traditional Name: (5R,6S)-N-(3,4-difluorophenyl)-4-methylene-2-thioxo-6-(3,4,5-trimethoxyphenyl)hexahydropyrimidine-5-carboxamide Formula: C21H21F2N3O4S MolecularWeight: 449.470946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C(C(=C)NC(=S)N2)C(=O)NC3=CC(=C(C=C3)F)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)NC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C21H21F2N3O4S/c1-10-17(20(27)25-12-5-6-13(22)14(23)9-12)18(26-21(31)24-10)11-7-15(28-2)19(30-4)16(8-11)29-3/h5-9,17-18H,1H2,2-4H3,(H,25,27)(H2,24,26,31)/t17-,18+/m0/s1