1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-[(1R)-1-phenylethyl]thiourea

Systemtic Name: 1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-[(1R)-1-phenylethyl]thiourea Openeye Name: 1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-[(1R)-1-phenylethyl]thiourea CAS Name: 1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-3-[(1R)-1-phenylethyl]thiourea IUPAC Name: 1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-[(1R)-1-phenylethyl]thiourea Traditional Name: 1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-[(1R)-1-phenylethyl]thiourea Formula: C27H35N4O2S+ MolecularWeight: 479.6574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCC[NH+]3CCOCC3)C(=S)NC(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCC[NH+]3CCOCC3)C(=S)N[C@H](C)C4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2S/c1-20-8-6-11-23-18-24(26(32)29-25(20)23)19-31(13-7-12-30-14-16-33-17-15-30)27(34)28-21(2)22-9-4-3-5-10-22/h3-6,8-11,18,21H,7,12-17,19H2,1-2H3,(H,28,34)(H,29,32)/p+1/t21-/m1/s1