3-cyano-N-cyclohexyl-2-methylsulfanyl-4-oxidanylidene-N-prop-2-enyl-quinolizine-1-carboxamide

Systemtic Name: 3-cyano-N-cyclohexyl-2-methylsulfanyl-4-oxidanylidene-N-prop-2-enyl-quinolizine-1-carboxamide Openeye Name: N-allyl-3-cyano-N-cyclohexyl-2-methylsulfanyl-4-oxo-quinolizine-1-carboxamide CAS Name: 3-cyano-N-cyclohexyl-2-(methylthio)-4-oxo-N-prop-2-enyl-1-quinolizinecarboxamide IUPAC Name: 3-cyano-N-cyclohexyl-2-methylsulfanyl-4-oxo-N-prop-2-enylquinolizine-1-carboxamide Traditional Name: N-allyl-3-cyano-N-cyclohexyl-4-keto-2-(methylthio)quinolizine-1-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)N(CC=C)C3CCCCC3)C#N

Isomeric SMILES

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)N(CC=C)C3CCCCC3)C#N

InChI

InChI=1S/C21H23N3O2S/c1-3-12-23(15-9-5-4-6-10-15)21(26)18-17-11-7-8-13-24(17)20(25)16(14-22)19(18)27-2/h3,7-8,11,13,15H,1,4-6,9-10,12H2,2H3