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

Systemtic Name: (5S,6S)-N-(2,4-dimethylphenyl)-4-methylidene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (5S,6S)-N-(2,4-dimethylphenyl)-4-methylene-6-phenyl-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (5S,6S)-N-(2,4-dimethylphenyl)-4-methylene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (5S,6S)-N-(2,4-dimethylphenyl)-4-methylidene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (5S,6S)-N-(2,4-dimethylphenyl)-4-methylene-6-phenyl-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3OS/c1-12-9-10-16(13(2)11-12)22-19(24)17-14(3)21-20(25)23-18(17)15-7-5-4-6-8-15/h4-11,17-18H,3H2,1-2H3,(H,22,24)(H2,21,23,25)/t17-,18-/m1/s1