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

Systemtic Name: methyl 2-[[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-oxidanylpropyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[3-hydroxypropyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[3-hydroxypropyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-hydroxypropyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[3-hydroxypropyl-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCCO)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCCO)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C23H25N3O4S/c1-15-8-9-19-16(12-15)13-17(21(28)24-19)14-26(10-5-11-27)23(31)25-20-7-4-3-6-18(20)22(29)30-2/h3-4,6-9,12-13,27H,5,10-11,14H2,1-2H3,(H,24,28)(H,25,31)