1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 3-benzyl-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C27H35N4O4S+ MolecularWeight: 511.6562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCC[NH+]3CCOCC3)C(=S)NCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCC[NH+]3CCOCC3)C(=S)NCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H34N4O4S/c1-33-24-16-21-15-22(26(32)29-23(21)17-25(24)34-2)19-31(10-6-9-30-11-13-35-14-12-30)27(36)28-18-20-7-4-3-5-8-20/h3-5,7-8,15-17H,6,9-14,18-19H2,1-2H3,(H,28,36)(H,29,32)/p+1