1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-[3-(4-morpholin-4-iumyl)propyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1-(3-pyridylmethyl)thiourea Formula: C25H32N5O3S+ MolecularWeight: 482.61828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NCCC[NH+]4CCOCC4

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C25H31N5O3S/c1-32-22-5-6-23-20(15-22)14-21(24(31)28-23)18-30(17-19-4-2-7-26-16-19)25(34)27-8-3-9-29-10-12-33-13-11-29/h2,4-7,14-16H,3,8-13,17-18H2,1H3,(H,27,34)(H,28,31)/p+1