N-(3-chloranyl-4-methyl-phenyl)-4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-(3-chloro-4-methylphenyl)-4-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]benzamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]benzamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C22H22ClN3O2S/c1-3-4-17-12-20(27)26-22(25-17)29-13-15-6-8-16(9-7-15)21(28)24-18-10-5-14(2)19(23)11-18/h5-12H,3-4,13H2,1-2H3,(H,24,28)(H,25,26,27)