2-[(4-bromophenyl)carbonylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid

Systemtic Name: 2-[(4-bromophenyl)carbonylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid Openeye Name: 2-[(4-bromobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid CAS Name: 5-[anilino(oxo)methyl]-2-[[(4-bromophenyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid IUPAC Name: 2-[(4-bromobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid Traditional Name: 2-[(4-bromobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)-3-thenoic acid Formula: C20H15BrN2O4S MolecularWeight: 459.3131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)NC(=O)C2=CC=C(C=C2)Br)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)NC(=O)C2=CC=C(C=C2)Br)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H15BrN2O4S/c1-11-15(20(26)27)19(23-17(24)12-7-9-13(21)10-8-12)28-16(11)18(25)22-14-5-3-2-4-6-14/h2-10H,1H3,(H,22,25)(H,23,24)(H,26,27)