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

Systemtic Name: S-piperazin-1-yl N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamothioate Openeye Name: S-piperazin-1-yl 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-piperazinyl) ester IUPAC Name: S-piperazin-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-piperazino ester Formula: C17H22N4O3S MolecularWeight: 362.44658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)SN3CCNCC3)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)SN3CCNCC3)O)C

InChI

InChI=1S/C17H22N4O3S/c1-17(2)15(22)14(12-9-11(10-18)3-4-13(12)24-17)20-16(23)25-21-7-5-19-6-8-21/h3-4,9,14-15,19,22H,5-8H2,1-2H3,(H,20,23)