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

Systemtic Name: [(4R,5S)-4-(3,4-dimethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]-phenyl-methanone Openeye Name: [(4R,5S)-4-(3,4-dimethoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidin-5-yl]-phenyl-methanone CAS Name: [(4R,5S)-4-(3,4-dimethoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinan-5-yl]-phenylmethanone IUPAC Name: [(4R,5S)-4-(3,4-dimethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]-phenylmethanone Traditional Name: [(4R,5S)-4-(3,4-dimethoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidin-5-yl]-phenyl-methanone Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(=C)NC(=S)N2)C(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2[C@@H](C(=C)NC(=S)N2)C(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H20N2O3S/c1-12-17(19(23)13-7-5-4-6-8-13)18(22-20(26)21-12)14-9-10-15(24-2)16(11-14)25-3/h4-11,17-18H,1H2,2-3H3,(H2,21,22,26)/t17-,18+/m1/s1