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

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-ethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Openeye Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-1-[2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Traditional Name: 1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-ethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Formula: C21H31N4O2S+ MolecularWeight: 403.56144

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N(CC[NH+]1CCCC1)CC2=CC3=C(C=CC(=C3)OCC)NC2=O

Isomeric SMILES

CCNC(=S)N(CC[NH+]1CCCC1)CC2=CC3=C(C=CC(=C3)OCC)NC2=O

InChI

InChI=1S/C21H30N4O2S/c1-3-22-21(28)25(12-11-24-9-5-6-10-24)15-17-13-16-14-18(27-4-2)7-8-19(16)23-20(17)26/h7-8,13-14H,3-6,9-12,15H2,1-2H3,(H,22,28)(H,23,26)/p+1