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

Systemtic Name: (4R,5S)-4-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4R,5S)-4-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4R,5S)-4-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4R,5S)-4-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4R,5S)-4-(2,4-dimethoxyphenyl)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O3S/c1-11-17(19(25)23-13-6-4-12(21)5-7-13)18(24-20(28)22-11)15-9-8-14(26-2)10-16(15)27-3/h4-10,17-18H,1H2,2-3H3,(H,23,25)(H2,22,24,28)/t17-,18+/m1/s1