[(5S,6R)-4-methylidene-6-(3-phenoxyphenyl)-2-sulfanylidene-1,3-diazinan-5-yl]-phenyl-methanone

Systemtic Name: [(5S,6R)-4-methylidene-6-(3-phenoxyphenyl)-2-sulfanylidene-1,3-diazinan-5-yl]-phenyl-methanone Openeye Name: [(5S,6R)-4-methylene-6-(3-phenoxyphenyl)-2-thioxo-hexahydropyrimidin-5-yl]-phenyl-methanone CAS Name: [(5S,6R)-4-methylene-6-(3-phenoxyphenyl)-2-sulfanylidene-1,3-diazinan-5-yl]-phenylmethanone IUPAC Name: [(5S,6R)-4-methylidene-6-(3-phenoxyphenyl)-2-sulfanylidene-1,3-diazinan-5-yl]-phenylmethanone Traditional Name: [(5S,6R)-4-methylene-6-(3-phenoxyphenyl)-2-thioxo-hexahydropyrimidin-5-yl]-phenyl-methanone Formula: C24H20N2O2S MolecularWeight: 400.4928

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=S)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C=C1[C@H]([C@@H](NC(=S)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H20N2O2S/c1-16-21(23(27)17-9-4-2-5-10-17)22(26-24(29)25-16)18-11-8-14-20(15-18)28-19-12-6-3-7-13-19/h2-15,21-22H,1H2,(H2,25,26,29)/t21-,22+/m1/s1