methyl 2-[[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(2S)-oxolan-2-yl]methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(2S)-oxolan-2-yl]methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2S)-2-oxolanyl]methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2S)-oxolan-2-yl]methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-6-methyl-1H-quinolin-3-yl)methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3CCCO3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C[C@@H]3CCCO3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C25H27N3O4S/c1-16-9-10-21-17(12-16)13-18(23(29)26-21)14-28(15-19-6-5-11-32-19)25(33)27-22-8-4-3-7-20(22)24(30)31-2/h3-4,7-10,12-13,19H,5-6,11,14-15H2,1-2H3,(H,26,29)(H,27,33)/t19-/m0/s1