1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-[(1R)-1-phenylethyl]thiourea

Systemtic Name: 1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-[(1R)-1-phenylethyl]thiourea Openeye Name: 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-[(1R)-1-phenylethyl]thiourea CAS Name: 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-3-[(1R)-1-phenylethyl]thiourea IUPAC Name: 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-[(1R)-1-phenylethyl]thiourea Traditional Name: 1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-[(1R)-1-phenylethyl]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(CC[NH+]3CCOCC3)C(=S)NC(C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O2S/c1-19-8-9-24-22(16-19)17-23(25(31)28-24)18-30(11-10-29-12-14-32-15-13-29)26(33)27-20(2)21-6-4-3-5-7-21/h3-9,16-17,20H,10-15,18H2,1-2H3,(H,27,33)(H,28,31)/p+1/t20-/m1/s1