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

Systemtic Name: methyl 2-[[2-diethylaminoethyl-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[2-diethylaminoethyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[2-diethylaminoethyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-diethylaminoethyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[2-diethylaminoethyl-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CC1=CC2=C(C=C(C=C2)C)NC1=O)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCN(CC)CCN(CC1=CC2=C(C=C(C=C2)C)NC1=O)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C26H32N4O3S/c1-5-29(6-2)13-14-30(26(34)28-22-10-8-7-9-21(22)25(32)33-4)17-20-16-19-12-11-18(3)15-23(19)27-24(20)31/h7-12,15-16H,5-6,13-14,17H2,1-4H3,(H,27,31)(H,28,34)