3-[[5-aminocarbonyl-4-[(4-propylphenyl)carbonylamino]-1H-imidazol-2-yl]methyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[[5-aminocarbonyl-4-[(4-propylphenyl)carbonylamino]-1H-imidazol-2-yl]methyl]thiophene-2-carboxylic acid Openeye Name: 3-[[5-carbamoyl-4-[(4-propylbenzoyl)amino]-1H-imidazol-2-yl]methyl]thiophene-2-carboxylic acid CAS Name: 3-[[5-carbamoyl-4-[[oxo-(4-propylphenyl)methyl]amino]-1H-imidazol-2-yl]methyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[[5-carbamoyl-4-[(4-propylbenzoyl)amino]-1H-imidazol-2-yl]methyl]thiophene-2-carboxylic acid Traditional Name: 3-[[5-carbamoyl-4-[(4-propylbenzoyl)amino]-1H-imidazol-2-yl]methyl]-2-thenoic acid Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)NC2=C(NC(=N2)CC3=C(SC=C3)C(=O)O)C(=O)N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)NC2=C(NC(=N2)CC3=C(SC=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C20H20N4O4S/c1-2-3-11-4-6-12(7-5-11)19(26)24-18-15(17(21)25)22-14(23-18)10-13-8-9-29-16(13)20(27)28/h4-9H,2-3,10H2,1H3,(H2,21,25)(H,22,23)(H,24,26)(H,27,28)