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

Systemtic Name: (4S,5S)-N-(3,5-dimethylphenyl)-4-(3-methoxy-4-oxidanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4S,5S)-N-(3,5-dimethylphenyl)-4-(4-hydroxy-3-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4S,5S)-N-(3,5-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4S,5S)-N-(3,5-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4S,5S)-N-(3,5-dimethylphenyl)-4-(4-hydroxy-3-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2C(NC(=S)NC2=C)C3=CC(=C(C=C3)O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)[C@H]2[C@H](NC(=S)NC2=C)C3=CC(=C(C=C3)O)OC)C

InChI

InChI=1S/C21H23N3O3S/c1-11-7-12(2)9-15(8-11)23-20(26)18-13(3)22-21(28)24-19(18)14-5-6-16(25)17(10-14)27-4/h5-10,18-19,25H,3H2,1-2,4H3,(H,23,26)(H2,22,24,28)/t18-,19-/m1/s1