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

Systemtic Name: (4R,5S)-N-(2,3-dimethylphenyl)-4-(4-ethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4R,5S)-N-(2,3-dimethylphenyl)-4-(4-ethoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4R,5S)-N-(2,3-dimethylphenyl)-4-(4-ethoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4R,5S)-N-(2,3-dimethylphenyl)-4-(4-ethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (5S,6R)-N-(2,3-dimethylphenyl)-4-methylene-6-p-phenetyl-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C(=C)NC(=S)N2)C(=O)NC3=CC=CC(=C3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2[C@@H](C(=C)NC(=S)N2)C(=O)NC3=CC=CC(=C3C)C

InChI

InChI=1S/C22H25N3O2S/c1-5-27-17-11-9-16(10-12-17)20-19(15(4)23-22(28)25-20)21(26)24-18-8-6-7-13(2)14(18)3/h6-12,19-20H,4-5H2,1-3H3,(H,24,26)(H2,23,25,28)/t19-,20+/m1/s1