1-[(4S,5R)-4-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]ethanone

Systemtic Name: 1-[(4S,5R)-4-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]ethanone Openeye Name: 1-[(4S,5R)-4-(3-bromo-5-ethoxy-4-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidin-5-yl]ethanone CAS Name: 1-[(4S,5R)-4-(3-bromo-5-ethoxy-4-methoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinan-5-yl]ethanone IUPAC Name: 1-[(4S,5R)-4-(3-bromo-5-ethoxy-4-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]ethanone Traditional Name: 1-[(4S,5R)-4-(3-bromo-5-ethoxy-4-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidin-5-yl]ethanone Formula: C16H19BrN2O3S MolecularWeight: 399.30266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(C(=C)NC(=S)N2)C(=O)C)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)C)Br)OC

InChI

InChI=1S/C16H19BrN2O3S/c1-5-22-12-7-10(6-11(17)15(12)21-4)14-13(9(3)20)8(2)18-16(23)19-14/h6-7,13-14H,2,5H2,1,3-4H3,(H2,18,19,23)/t13-,14-/m1/s1