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

Systemtic Name: 1-(2-hydroxyethyl)-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-(2-hydroxyethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-(2-hydroxyethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-(2-hydroxyethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(2-hydroxyethyl)-1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C21H31N4O3S+ MolecularWeight: 419.56084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCO)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCO)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C21H30N4O3S/c1-16-4-2-5-17-14-18(20(27)23-19(16)17)15-25(8-11-26)21(29)22-6-3-7-24-9-12-28-13-10-24/h2,4-5,14,26H,3,6-13,15H2,1H3,(H,22,29)(H,23,27)/p+1