[2-(isoquinolin-5-ylcarbamothioyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethanoate

Systemtic Name: [2-(isoquinolin-5-ylcarbamothioyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethanoate Openeye Name: [2-(5-isoquinolylcarbamothioyl)-2,5,7,8-tetramethyl-chroman-6-yl] acetate CAS Name: acetic acid [2-[(5-isoquinolinylamino)-sulfanylidenemethyl]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: [2-(isoquinolin-5-ylcarbamothioyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] acetate Traditional Name: acetic acid [2-(5-isoquinolylthiocarbamoyl)-2,5,7,8-tetramethyl-chroman-6-yl] ester Formula: C25H26N2O3S MolecularWeight: 434.55054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)C(=S)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)C(=S)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H26N2O3S/c1-14-15(2)23-19(16(3)22(14)29-17(4)28)9-11-25(5,30-23)24(31)27-21-8-6-7-18-13-26-12-10-20(18)21/h6-8,10,12-13H,9,11H2,1-5H3,(H,27,31)