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

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-ethoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)thiourea Openeye Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethoxyphenyl)-1-[2-(1-pyrrolidinyl)ethyl]thiourea IUPAC Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)thiourea Traditional Name: 1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-o-phenetyl-1-(2-pyrrolidinoethyl)thiourea Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCN3CCCC3)C(=S)NC4=CC=CC=C4OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCN3CCCC3)C(=S)NC4=CC=CC=C4OCC

InChI

InChI=1S/C27H34N4O3S/c1-3-33-22-11-12-23-20(18-22)17-21(26(32)28-23)19-31(16-15-30-13-7-8-14-30)27(35)29-24-9-5-6-10-25(24)34-4-2/h5-6,9-12,17-18H,3-4,7-8,13-16,19H2,1-2H3,(H,28,32)(H,29,35)