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

Systemtic Name: S-(4-methylpiperazin-1-yl) N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamothioate Openeye Name: S-(4-methylpiperazin-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-[(4-methyl-1-piperazinyl)] ester IUPAC Name: S-(4-methylpiperazin-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-methylpiperazino) ester Formula: C18H24N4O3S MolecularWeight: 376.47316

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)SN3CCN(CC3)C)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)SN3CCN(CC3)C)O)C

InChI

InChI=1S/C18H24N4O3S/c1-18(2)16(23)15(13-10-12(11-19)4-5-14(13)25-18)20-17(24)26-22-8-6-21(3)7-9-22/h4-5,10,15-16,23H,6-9H2,1-3H3,(H,20,24)