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

Systemtic Name: (4R,5S)-4-(4-bromophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4R,5S)-4-(4-bromophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4R,5S)-4-(4-bromophenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4R,5S)-4-(4-bromophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4R,5S)-4-(4-bromophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C12H12BrN3OS MolecularWeight: 326.21218

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=S)N1)C2=CC=C(C=C2)Br)C(=O)N

Isomeric SMILES

C=C1[C@H]([C@@H](NC(=S)N1)C2=CC=C(C=C2)Br)C(=O)N

InChI

InChI=1S/C12H12BrN3OS/c1-6-9(11(14)17)10(16-12(18)15-6)7-2-4-8(13)5-3-7/h2-5,9-10H,1H2,(H2,14,17)(H2,15,16,18)/t9-,10+/m1/s1