4-[[5-methyl-3-[(phenylmethyl)carbamoyl]thiophen-2-yl]carbamoyl]benzoic acid

Systemtic Name: 4-[[5-methyl-3-[(phenylmethyl)carbamoyl]thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[3-(benzylcarbamoyl)-5-methyl-2-thienyl]carbamoyl]benzoic acid CAS Name: 4-[[[5-methyl-3-[oxo-[(phenylmethyl)amino]methyl]-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[3-(benzylcarbamoyl)-5-methylthiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[3-(benzylcarbamoyl)-5-methyl-2-thienyl]carbamoyl]benzoic acid Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O4S/c1-13-11-17(19(25)22-12-14-5-3-2-4-6-14)20(28-13)23-18(24)15-7-9-16(10-8-15)21(26)27/h2-11H,12H2,1H3,(H,22,25)(H,23,24)(H,26,27)