N-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioyl]-3-phenethyloxy-benzamide

Systemtic Name: N-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3)C#N)C

InChI

InChI=1S/C24H22N4O3S/c1-16-13-17(2)28(23(30)21(16)15-25)27-24(32)26-22(29)19-9-6-10-20(14-19)31-12-11-18-7-4-3-5-8-18/h3-10,13-14H,11-12H2,1-2H3,(H2,26,27,29,32)