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

Systemtic Name: 1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 3-benzyl-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C26H33N4O2S+ MolecularWeight: 465.63082

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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)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC[NH+]3CCOCC3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2S/c1-20-8-9-24-22(16-20)17-23(25(31)28-24)19-30(11-5-10-29-12-14-32-15-13-29)26(33)27-18-21-6-3-2-4-7-21/h2-4,6-9,16-17H,5,10-15,18-19H2,1H3,(H,27,33)(H,28,31)/p+1