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

Systemtic Name: methyl 2-[[2-diethylaminoethyl-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[2-diethylaminoethyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[2-diethylaminoethyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-diethylaminoethyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[2-diethylaminoethyl-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CC1=CC2=CC(=C(C=C2NC1=O)C)C)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCN(CC)CCN(CC1=CC2=CC(=C(C=C2NC1=O)C)C)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C27H34N4O3S/c1-6-30(7-2)12-13-31(27(35)29-23-11-9-8-10-22(23)26(33)34-5)17-21-16-20-14-18(3)19(4)15-24(20)28-25(21)32/h8-11,14-16H,6-7,12-13,17H2,1-5H3,(H,28,32)(H,29,35)