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

Systemtic Name: 1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 3-benzyl-1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C27H35N4O2S+ MolecularWeight: 479.6574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC[NH+]3CCOCC3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC[NH+]3CCOCC3)C(=S)NCC4=CC=CC=C4

InChI

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