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

Systemtic Name: (5S,6R)-N-(2,4-dimethoxyphenyl)-4-methylidene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (5S,6R)-N-(2,4-dimethoxyphenyl)-4-methylene-6-phenyl-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (5S,6R)-N-(2,4-dimethoxyphenyl)-4-methylene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (5S,6R)-N-(2,4-dimethoxyphenyl)-4-methylidene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (5S,6R)-N-(2,4-dimethoxyphenyl)-4-methylene-6-phenyl-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2C(NC(=S)NC2=C)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)[C@H]2[C@@H](NC(=S)NC2=C)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H21N3O3S/c1-12-17(18(23-20(27)21-12)13-7-5-4-6-8-13)19(24)22-15-10-9-14(25-2)11-16(15)26-3/h4-11,17-18H,1H2,2-3H3,(H,22,24)(H2,21,23,27)/t17-,18+/m1/s1