methyl 2-[[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(tetrahydrofuran-2-ylmethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-oxolanylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl-(tetrahydrofurfuryl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3CCCO3)C(=S)NC4=CC=CC=C4C(=O)OC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3CCCO3)C(=S)NC4=CC=CC=C4C(=O)OC)C

InChI

InChI=1S/C26H29N3O4S/c1-16-11-18-13-19(24(30)27-23(18)12-17(16)2)14-29(15-20-7-6-10-33-20)26(34)28-22-9-5-4-8-21(22)25(31)32-3/h4-5,8-9,11-13,20H,6-7,10,14-15H2,1-3H3,(H,27,30)(H,28,34)