1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 3-benzyl-1-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C26H33N4O2S+ MolecularWeight: 465.63082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+]3CCOCC3)C(=S)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+]3CCOCC3)C(=S)NCC4=CC=CC=C4)C

InChI

InChI=1S/C26H32N4O2S/c1-19-8-9-22-16-23(25(31)28-24(22)20(19)2)18-30(11-10-29-12-14-32-15-13-29)26(33)27-17-21-6-4-3-5-7-21/h3-9,16H,10-15,17-18H2,1-2H3,(H,27,33)(H,28,31)/p+1