1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 3-isobutyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 3-isobutyl-1-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C22H33N4O2S+ MolecularWeight: 417.58802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+]3CCOCC3)C(=S)NCC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+]3CCOCC3)C(=S)NCC(C)C

InChI

InChI=1S/C22H32N4O2S/c1-16(2)14-23-22(29)26(7-6-25-8-10-28-11-9-25)15-19-13-18-5-4-17(3)12-20(18)24-21(19)27/h4-5,12-13,16H,6-11,14-15H2,1-3H3,(H,23,29)(H,24,27)/p+1