2-[2-cyano-1-[(3,4-dimethylphenyl)amino]-3-oxidanylidene-3-piperidin-1-yl-prop-1-enyl]sulfanyl-N-naphthalen-2-yl-ethanamide

Systemtic Name: 2-[2-cyano-1-[(3,4-dimethylphenyl)amino]-3-oxidanylidene-3-piperidin-1-yl-prop-1-enyl]sulfanyl-N-naphthalen-2-yl-ethanamide Openeye Name: 2-[2-cyano-1-(3,4-dimethylanilino)-3-oxo-3-(1-piperidyl)prop-1-enyl]sulfanyl-N-(2-naphthyl)acetamide CAS Name: 2-[[2-cyano-1-(3,4-dimethylanilino)-3-oxo-3-(1-piperidinyl)prop-1-enyl]thio]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[2-cyano-1-(3,4-dimethylanilino)-3-oxo-3-piperidin-1-ylprop-1-enyl]sulfanyl-N-naphthalen-2-ylacetamide Traditional Name: 2-[[2-cyano-1-(3,4-dimethylanilino)-3-keto-3-piperidino-prop-1-enyl]thio]-N-(2-naphthyl)acetamide Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=C(C#N)C(=O)N2CCCCC2)SCC(=O)NC3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=C(C#N)C(=O)N2CCCCC2)SCC(=O)NC3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C29H30N4O2S/c1-20-10-12-24(16-21(20)2)32-28(26(18-30)29(35)33-14-6-3-7-15-33)36-19-27(34)31-25-13-11-22-8-4-5-9-23(22)17-25/h4-5,8-13,16-17,32H,3,6-7,14-15,19H2,1-2H3,(H,31,34)