2-[8-tert-butyl-2-(4-carbamothioylphenyl)-6-formamido-imidazo[1,2-a]pyridin-3-yl]propanoic acid

Systemtic Name: 2-[8-tert-butyl-2-(4-carbamothioylphenyl)-6-formamido-imidazo[1,2-a]pyridin-3-yl]propanoic acid Openeye Name: 2-[8-tert-butyl-2-(4-carbamothioylphenyl)-6-formamido-imidazo[1,2-a]pyridin-3-yl]propanoic acid CAS Name: 2-[8-tert-butyl-2-(4-carbamothioylphenyl)-6-formamido-3-imidazo[1,2-a]pyridinyl]propanoic acid IUPAC Name: 2-[8-tert-butyl-2-(4-carbamothioylphenyl)-6-formamidoimidazo[1,2-a]pyridin-3-yl]propanoic acid Traditional Name: 2-[8-tert-butyl-6-formamido-2-(4-thiocarbamoylphenyl)imidazo[1,2-a]pyridin-3-yl]propionic acid Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(N=C2N1C=C(C=C2C(C)(C)C)NC=O)C3=CC=C(C=C3)C(=S)N)C(=O)O

Isomeric SMILES

CC(C1=C(N=C2N1C=C(C=C2C(C)(C)C)NC=O)C3=CC=C(C=C3)C(=S)N)C(=O)O

InChI

InChI=1S/C22H24N4O3S/c1-12(21(28)29)18-17(13-5-7-14(8-6-13)19(23)30)25-20-16(22(2,3)4)9-15(24-11-27)10-26(18)20/h5-12H,1-4H3,(H2,23,30)(H,24,27)(H,28,29)