4-(5-bromanyl-2,3-dimethoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: 4-(5-bromanyl-2,3-dimethoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: 4-(5-bromo-2,3-dimethoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: 4-(5-bromo-2,3-dimethoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: 4-(5-bromo-2,3-dimethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: 4-(5-bromo-2,3-dimethoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C14H16BrN3O3S MolecularWeight: 386.26414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C2C(C(=C)NC(=S)N2)C(=O)N)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C2C(C(=C)NC(=S)N2)C(=O)N)OC

InChI

InChI=1S/C14H16BrN3O3S/c1-6-10(13(16)19)11(18-14(22)17-6)8-4-7(15)5-9(20-2)12(8)21-3/h4-5,10-11H,1H2,2-3H3,(H2,16,19)(H2,17,18,22)