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

Systemtic Name: (4R,5R)-N-[3,4-bis(fluoranyl)phenyl]-4-(4-dimethylaminophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4R,5R)-N-(3,4-difluorophenyl)-4-(4-dimethylaminophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4R,5R)-N-(3,4-difluorophenyl)-4-(4-dimethylaminophenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4R,5R)-N-(3,4-difluorophenyl)-4-(4-dimethylaminophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4R,5R)-N-(3,4-difluorophenyl)-4-(4-dimethylaminophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C20H20F2N4OS MolecularWeight: 402.460806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20F2N4OS/c1-11-17(19(27)24-13-6-9-15(21)16(22)10-13)18(25-20(28)23-11)12-4-7-14(8-5-12)26(2)3/h4-10,17-18H,1H2,2-3H3,(H,24,27)(H2,23,25,28)/t17-,18-/m0/s1