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

Systemtic Name: [(4R,5S)-4-(3-methoxy-4-prop-2-enoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]-phenyl-methanone Openeye Name: [(4R,5S)-4-(4-allyloxy-3-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidin-5-yl]-phenyl-methanone CAS Name: [(4R,5S)-4-(3-methoxy-4-prop-2-enoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinan-5-yl]-phenylmethanone IUPAC Name: [(4R,5S)-4-(3-methoxy-4-prop-2-enoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]-phenylmethanone Traditional Name: [(4R,5S)-4-(4-allyloxy-3-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidin-5-yl]-phenyl-methanone Formula: C22H22N2O3S MolecularWeight: 394.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S/c1-4-12-27-17-11-10-16(13-18(17)26-3)20-19(14(2)23-22(28)24-20)21(25)15-8-6-5-7-9-15/h4-11,13,19-20H,1-2,12H2,3H3,(H2,23,24,28)/t19-,20+/m1/s1