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

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Openeye Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(p-tolyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)-1-[2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Traditional Name: 1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-(p-tolyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Formula: C26H33N4O2S+ MolecularWeight: 465.63082

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O2S/c1-3-32-23-10-11-24-20(17-23)16-21(25(31)28-24)18-30(15-14-29-12-4-5-13-29)26(33)27-22-8-6-19(2)7-9-22/h6-11,16-17H,3-5,12-15,18H2,1-2H3,(H,27,33)(H,28,31)/p+1