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

Systemtic Name: methyl 2-[[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[benzyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[benzyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[benzyl-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C27H25N3O3S/c1-18-12-13-23-20(14-18)15-21(25(31)28-23)17-30(16-19-8-4-3-5-9-19)27(34)29-24-11-7-6-10-22(24)26(32)33-2/h3-15H,16-17H2,1-2H3,(H,28,31)(H,29,34)