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

Systemtic Name: 4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-N-phenyl-benzamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c1-2-6-18-13-19(25)24-21(23-18)27-14-15-9-11-16(12-10-15)20(26)22-17-7-4-3-5-8-17/h3-5,7-13H,2,6,14H2,1H3,(H,22,26)(H,23,24,25)