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

Systemtic Name: (4S,5R)-4-(2-bromophenyl)-N-(3,5-dimethylphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4S,5R)-4-(2-bromophenyl)-N-(3,5-dimethylphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4S,5R)-4-(2-bromophenyl)-N-(3,5-dimethylphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4S,5R)-4-(2-bromophenyl)-N-(3,5-dimethylphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4S,5R)-4-(2-bromophenyl)-N-(3,5-dimethylphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C20H20BrN3OS MolecularWeight: 430.3613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2C(NC(=S)NC2=C)C3=CC=CC=C3Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)[C@@H]2[C@H](NC(=S)NC2=C)C3=CC=CC=C3Br)C

InChI

InChI=1S/C20H20BrN3OS/c1-11-8-12(2)10-14(9-11)23-19(25)17-13(3)22-20(26)24-18(17)15-6-4-5-7-16(15)21/h4-10,17-18H,3H2,1-2H3,(H,23,25)(H2,22,24,26)/t17-,18+/m0/s1