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

Systemtic Name: methyl 2-[[2-dimethylaminoethyl-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[2-dimethylaminoethyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[2-dimethylaminoethyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-dimethylaminoethyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[2-dimethylaminoethyl-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O3S/c1-16-9-10-20-17(13-16)14-18(22(29)25-20)15-28(12-11-27(2)3)24(32)26-21-8-6-5-7-19(21)23(30)31-4/h5-10,13-14H,11-12,15H2,1-4H3,(H,25,29)(H,26,32)