methyl 2-[[2-dimethylaminoethyl-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[2-dimethylaminoethyl-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[2-dimethylaminoethyl-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[2-dimethylaminoethyl-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-dimethylaminoethyl-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[2-dimethylaminoethyl-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCN(C)C)C(=S)NC3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCN(C)C)C(=S)NC3=CC=CC=C3C(=O)OC)C

InChI

InChI=1S/C25H30N4O3S/c1-16-10-11-18-14-19(23(30)27-22(18)17(16)2)15-29(13-12-28(3)4)25(33)26-21-9-7-6-8-20(21)24(31)32-5/h6-11,14H,12-13,15H2,1-5H3,(H,26,33)(H,27,30)