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

Systemtic Name: methyl 2-[[3-(diethylamino)propyl-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[3-(diethylamino)propyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[3-(diethylamino)propyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(diethylamino)propyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[3-(diethylamino)propyl-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C28H36N4O3S MolecularWeight: 508.67544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCCN(CC)CC)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCCN(CC)CC)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C28H36N4O3S/c1-5-20-13-14-24-21(17-20)18-22(26(33)29-24)19-32(16-10-15-31(6-2)7-3)28(36)30-25-12-9-8-11-23(25)27(34)35-4/h8-9,11-14,17-18H,5-7,10,15-16,19H2,1-4H3,(H,29,33)(H,30,36)