1-[4-(3-methoxy-4-prop-2-enoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-(3-methoxy-4-prop-2-enoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(4-allyloxy-3-methoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[4-(3-methoxy-4-prop-2-enoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[4-(3-methoxy-4-prop-2-enoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[4-(4-allyloxy-3-methoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OCC=C)OC)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OCC=C)OC)C3=CC=CC=C3

InChI

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