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

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenyl-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Openeye Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-[2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Traditional Name: 1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-phenyl-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Formula: C25H31N4O2S+ MolecularWeight: 451.60424

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2S/c1-2-31-22-10-11-23-19(17-22)16-20(24(30)27-23)18-29(15-14-28-12-6-7-13-28)25(32)26-21-8-4-3-5-9-21/h3-5,8-11,16-17H,2,6-7,12-15,18H2,1H3,(H,26,32)(H,27,30)/p+1