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

Systemtic Name: methyl 2-[[2-dimethylaminoethyl-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[2-dimethylaminoethyl-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[2-dimethylaminoethyl-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-dimethylaminoethyl-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[2-dimethylaminoethyl-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C25H30N4O4S MolecularWeight: 482.5951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCN(C)C)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCN(C)C)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C25H30N4O4S/c1-5-33-19-10-11-21-17(15-19)14-18(23(30)26-21)16-29(13-12-28(2)3)25(34)27-22-9-7-6-8-20(22)24(31)32-4/h6-11,14-15H,5,12-13,16H2,1-4H3,(H,26,30)(H,27,34)