1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Openeye Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-[2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Traditional Name: 1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Formula: C25H30FN4O2S+ MolecularWeight: 469.594703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCCC3)C(=S)NC4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCCC3)C(=S)NC4=CC=C(C=C4)F

InChI

InChI=1S/C25H29FN4O2S/c1-2-32-22-9-10-23-18(16-22)15-19(24(31)28-23)17-30(14-13-29-11-3-4-12-29)25(33)27-21-7-5-20(26)6-8-21/h5-10,15-16H,2-4,11-14,17H2,1H3,(H,27,33)(H,28,31)/p+1