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

Systemtic Name: (4S,5S)-N-(3,4-dimethylphenyl)-4-(3-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4S,5S)-N-(3,4-dimethylphenyl)-4-(3-methoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4S,5S)-N-(3,4-dimethylphenyl)-4-(3-methoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4S,5S)-N-(3,4-dimethylphenyl)-4-(3-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4S,5S)-N-(3,4-dimethylphenyl)-4-(3-methoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-12-8-9-16(10-13(12)2)23-20(25)18-14(3)22-21(27)24-19(18)15-6-5-7-17(11-15)26-4/h5-11,18-19H,3H2,1-2,4H3,(H,23,25)(H2,22,24,27)/t18-,19-/m1/s1