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

Systemtic Name: S-(4-oxidanylpiperidin-1-yl) N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamothioate Openeye Name: S-[(4-hydroxy-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-[(4-hydroxy-1-piperidinyl)] ester IUPAC Name: S-(4-hydroxypiperidin-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-(4-hydroxypiperidino) ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)SN3CCC(CC3)O)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)SN3CCC(CC3)O)O)C

InChI

InChI=1S/C18H23N3O4S/c1-18(2)16(23)15(13-9-11(10-19)3-4-14(13)25-18)20-17(24)26-21-7-5-12(22)6-8-21/h3-4,9,12,15-16,22-23H,5-8H2,1-2H3,(H,20,24)