N-(3-methylphenyl)-2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanamide

Systemtic Name: N-(3-methylphenyl)-2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanamide Openeye Name: N-(m-tolyl)-2-(6-oxo-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)acetamide CAS Name: N-(3-methylphenyl)-2-[6-oxo-2-(phenethylthio)-4-phenyl-1-pyrimidinyl]acetamide IUPAC Name: N-(3-methylphenyl)-2-(6-oxo-2-phenethylsulfanyl-4-phenylpyrimidin-1-yl)acetamide Traditional Name: 2-[6-keto-2-(phenethylthio)-4-phenyl-pyrimidin-1-yl]-N-(m-tolyl)acetamide Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O2S/c1-20-9-8-14-23(17-20)28-25(31)19-30-26(32)18-24(22-12-6-3-7-13-22)29-27(30)33-16-15-21-10-4-2-5-11-21/h2-14,17-18H,15-16,19H2,1H3,(H,28,31)