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

Systemtic Name: [(5S,6R)-4-methylidene-6-(3-phenylmethoxyphenyl)-2-sulfanylidene-1,3-diazinan-5-yl]-phenyl-methanone Openeye Name: [(4R,5S)-4-(3-benzyloxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidin-5-yl]-phenyl-methanone CAS Name: [(5S,6R)-4-methylene-6-(3-phenylmethoxyphenyl)-2-sulfanylidene-1,3-diazinan-5-yl]-phenylmethanone IUPAC Name: [(5S,6R)-4-methylidene-6-(3-phenylmethoxyphenyl)-2-sulfanylidene-1,3-diazinan-5-yl]-phenylmethanone Traditional Name: [(4R,5S)-4-(3-benzoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidin-5-yl]-phenyl-methanone Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=S)N1)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C=C1[C@H]([C@@H](NC(=S)N1)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O2S/c1-17-22(24(28)19-11-6-3-7-12-19)23(27-25(30)26-17)20-13-8-14-21(15-20)29-16-18-9-4-2-5-10-18/h2-15,22-23H,1,16H2,(H2,26,27,30)/t22-,23+/m1/s1