S-piperidin-1-yl N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamothioate

Systemtic Name: S-piperidin-1-yl N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamothioate Openeye Name: S-(1-piperidyl) N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)carbamothioate CAS Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)carbamothioic acid S-(1-piperidinyl) ester IUPAC Name: S-piperidin-1-yl N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamothioate Traditional Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)thiocarbamic acid S-piperidino ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)SN3CCCCC3)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)SN3CCCCC3)O)C

InChI

InChI=1S/C18H23N3O3S/c1-18(2)16(22)15(13-10-12(11-19)6-7-14(13)24-18)20-17(23)25-21-8-4-3-5-9-21/h6-7,10,15-16,22H,3-5,8-9H2,1-2H3,(H,20,23)