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

Systemtic Name: 4-[[3-[(4-fluorophenyl)methylcarbamoyl]-5-methyl-thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[3-[(4-fluorophenyl)methylcarbamoyl]-5-methyl-2-thienyl]carbamoyl]benzoic acid CAS Name: 4-[[[3-[[(4-fluorophenyl)methylamino]-oxomethyl]-5-methyl-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[3-[(4-fluorophenyl)methylcarbamoyl]-5-methylthiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[3-[(4-fluorobenzyl)carbamoyl]-5-methyl-2-thienyl]carbamoyl]benzoic acid Formula: C21H17FN2O4S MolecularWeight: 412.434083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17FN2O4S/c1-12-10-17(19(26)23-11-13-2-8-16(22)9-3-13)20(29-12)24-18(25)14-4-6-15(7-5-14)21(27)28/h2-10H,11H2,1H3,(H,23,26)(H,24,25)(H,27,28)