N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(pyrimidin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(pyrimidin-2-ylsulfanylmethyl)benzamide Openeye Name: N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(pyrimidin-2-ylsulfanylmethyl)benzamide CAS Name: N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-[(2-pyrimidinylthio)methyl]benzamide IUPAC Name: N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(pyrimidin-2-ylsulfanylmethyl)benzamide Traditional Name: N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-[(2-pyrimidylthio)methyl]benzamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)CSC2=NC=CC=N2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=C(C=C1)CSC2=NC=CC=N2)/C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H22N4O3S/c1-15(18-9-10-19(28-2)20(13-18)29-3)25-26-21(27)17-7-5-16(6-8-17)14-30-22-23-11-4-12-24-22/h4-13H,14H2,1-3H3,(H,26,27)/b25-15+