methyl N-cyano-N'-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamimidothioate

Systemtic Name: methyl N-cyano-N'-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamimidothioate Openeye Name: 1-cyano-3-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-2-methyl-isothiourea CAS Name: N-cyano-N'-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamimidothioate Traditional Name: 1-cyano-3-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-2-methyl-isothiourea Formula: C15H16N4O2S MolecularWeight: 316.37814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O2S/c1-15(2)13(20)12(19-14(22-3)18-8-17)10-6-9(7-16)4-5-11(10)21-15/h4-6,12-13,20H,1-3H3,(H,18,19)