methyl 2-[[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-morpholin-4-ium-4-ylethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-morpholin-4-ium-4-ylethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(2-morpholin-4-ium-4-ylethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[2-(4-morpholin-4-iumyl)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(2-morpholin-4-ium-4-ylethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl-(2-morpholin-4-ium-4-ylethyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C26H31N4O5S+ MolecularWeight: 511.61314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCOCC3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCOCC3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C26H30N4O5S/c1-33-20-7-8-22-18(16-20)15-19(24(31)27-22)17-30(10-9-29-11-13-35-14-12-29)26(36)28-23-6-4-3-5-21(23)25(32)34-2/h3-8,15-16H,9-14,17H2,1-2H3,(H,27,31)(H,28,36)/p+1