3-(3-chlorophenyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 3-(3-chlorophenyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 3-(3-chlorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 3-(3-chlorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 3-(3-chlorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 3-(3-chlorophenyl)-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C25H30ClN4O2S+ MolecularWeight: 486.0493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC[NH+]3CCOCC3)C(=S)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC[NH+]3CCOCC3)C(=S)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H29ClN4O2S/c1-18-6-7-23-19(14-18)15-20(24(31)28-23)17-30(9-3-8-29-10-12-32-13-11-29)25(33)27-22-5-2-4-21(26)16-22/h2,4-7,14-16H,3,8-13,17H2,1H3,(H,27,33)(H,28,31)/p+1