(7S)-10-azanyl-11-cyano-8-(phenylmethylsulfanyl)-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide

Systemtic Name: (7S)-10-azanyl-11-cyano-8-(phenylmethylsulfanyl)-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide Openeye Name: (7S)-10-amino-8-benzylsulfanyl-11-cyano-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide CAS Name: (7S)-10-amino-11-cyano-8-(phenylmethylthio)-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide IUPAC Name: (7S)-10-amino-8-benzylsulfanyl-11-cyano-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide Traditional Name: (7S)-10-amino-8-(benzylthio)-11-cyano-9-azaspiro[5.5]undeca-8,10-diene-7-carboxamide Formula: C19H22N4OS MolecularWeight: 354.46918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(C(=NC(=C2C#N)N)SCC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1CCC2(CC1)[C@H](C(=NC(=C2C#N)N)SCC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C19H22N4OS/c20-11-14-16(21)23-18(25-12-13-7-3-1-4-8-13)15(17(22)24)19(14)9-5-2-6-10-19/h1,3-4,7-8,15H,2,5-6,9-10,12,21H2,(H2,22,24)/t15-/m0/s1