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

Systemtic Name: (4S,5R)-N-(2,5-dimethylphenyl)-4-(3-ethoxy-4-oxidanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4S,5R)-N-(2,5-dimethylphenyl)-4-(3-ethoxy-4-hydroxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4S,5R)-N-(2,5-dimethylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4S,5R)-N-(2,5-dimethylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4S,5R)-N-(2,5-dimethylphenyl)-4-(3-ethoxy-4-hydroxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)NC3=C(C=CC(=C3)C)C)O

InChI

InChI=1S/C22H25N3O3S/c1-5-28-18-11-15(8-9-17(18)26)20-19(14(4)23-22(29)25-20)21(27)24-16-10-12(2)6-7-13(16)3/h6-11,19-20,26H,4-5H2,1-3H3,(H,24,27)(H2,23,25,29)/t19-,20+/m0/s1