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

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-propyl-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Openeye Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-propyl-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-propyl-1-[2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-propyl-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Traditional Name: 1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-propyl-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Formula: C22H33N4O2S+ MolecularWeight: 417.58802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O2S/c1-3-9-23-22(29)26(13-12-25-10-5-6-11-25)16-18-14-17-15-19(28-4-2)7-8-20(17)24-21(18)27/h7-8,14-15H,3-6,9-13,16H2,1-2H3,(H,23,29)(H,24,27)/p+1