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

Systemtic Name: methyl 2-[[3-(diethylamino)propyl-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[3-(diethylamino)propyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[3-(diethylamino)propyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(diethylamino)propyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[3-(diethylamino)propyl-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C27H34N4O4S MolecularWeight: 510.64826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O4S/c1-5-30(6-2)14-9-15-31(27(36)29-24-11-8-7-10-22(24)26(33)35-4)18-20-16-19-17-21(34-3)12-13-23(19)28-25(20)32/h7-8,10-13,16-17H,5-6,9,14-15,18H2,1-4H3,(H,28,32)(H,29,36)