1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C27H35N4O3S+ MolecularWeight: 495.6568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCC[NH+]3CCOCC3)C(=S)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCC[NH+]3CCOCC3)C(=S)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H34N4O3S/c1-19-5-6-20(2)25-24(19)17-21(26(32)29-25)18-31(12-4-11-30-13-15-34-16-14-30)27(35)28-22-7-9-23(33-3)10-8-22/h5-10,17H,4,11-16,18H2,1-3H3,(H,28,35)(H,29,32)/p+1