4-[[2-methyl-3-(2-pyridin-4-ylethyl)indolizin-1-yl]carbothioylamino]benzoic acid

Systemtic Name: 4-[[2-methyl-3-(2-pyridin-4-ylethyl)indolizin-1-yl]carbothioylamino]benzoic acid Openeye Name: 4-[[2-methyl-3-[2-(4-pyridyl)ethyl]indolizine-1-carbothioyl]amino]benzoic acid CAS Name: 4-[[[2-methyl-3-(2-pyridin-4-ylethyl)-1-indolizinyl]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carbothioyl]amino]benzoic acid Traditional Name: 4-[[2-methyl-3-[2-(4-pyridyl)ethyl]indolizine-1-carbothioyl]amino]benzoic acid Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=CC=CC2=C1C(=S)NC3=CC=C(C=C3)C(=O)O)CCC4=CC=NC=C4

Isomeric SMILES

CC1=C(N2C=CC=CC2=C1C(=S)NC3=CC=C(C=C3)C(=O)O)CCC4=CC=NC=C4

InChI

InChI=1S/C24H21N3O2S/c1-16-20(10-5-17-11-13-25-14-12-17)27-15-3-2-4-21(27)22(16)23(30)26-19-8-6-18(7-9-19)24(28)29/h2-4,6-9,11-15H,5,10H2,1H3,(H,26,30)(H,28,29)