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

Systemtic Name: S-(1,4-dimethylpiperazin-1-ium-1-yl) N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamothioate Openeye Name: S-(1,4-dimethylpiperazin-1-ium-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-[(1,4-dimethyl-1-piperazin-1-iumyl)] ester IUPAC Name: S-(1,4-dimethylpiperazin-1-ium-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-(1,4-dimethylpiperazin-1-ium-1-yl) ester Formula: C19H27N4O3S+ MolecularWeight: 391.50768

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)S[N+]3(CCN(CC3)C)C)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)S[N+]3(CCN(CC3)C)C)O)C

InChI

InChI=1S/C19H26N4O3S/c1-19(2)17(24)16(14-11-13(12-20)5-6-15(14)26-19)21-18(25)27-23(4)9-7-22(3)8-10-23/h5-6,11,16-17,24H,7-10H2,1-4H3/p+1