N-[(4-methylphenyl)-thiophen-2-yl-methyl]-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[(4-methylphenyl)-thiophen-2-yl-methyl]-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-[p-tolyl(2-thienyl)methyl]acetamide CAS Name: N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-N-[p-tolyl(2-thienyl)methyl]acetamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NC(C2=CC=C(C=C2)C)C3=CC=CS3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NC(C2=CC=C(C=C2)C)C3=CC=CS3

InChI

InChI=1S/C21H23N3O2S2/c1-3-5-16-12-18(25)24-21(22-16)28-13-19(26)23-20(17-6-4-11-27-17)15-9-7-14(2)8-10-15/h4,6-12,20H,3,5,13H2,1-2H3,(H,23,26)(H,22,24,25)