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

Systemtic Name: 1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenethyl-thiourea Openeye Name: 1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenethyl-thiourea CAS Name: 1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-3-phenethylthiourea IUPAC Name: 1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenethylthiourea Traditional Name: 1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenethyl-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)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCC[NH+]3CCOCC3)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2S/c1-21-7-5-10-23-19-24(26(32)29-25(21)23)20-31(14-6-13-30-15-17-33-18-16-30)27(34)28-12-11-22-8-3-2-4-9-22/h2-5,7-10,19H,6,11-18,20H2,1H3,(H,28,34)(H,29,32)/p+1