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

Systemtic Name: 4-[[3-[(phenylmethyl)carbamoyl]-5-propyl-thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[3-(benzylcarbamoyl)-5-propyl-2-thienyl]carbamoyl]benzoic acid CAS Name: 4-[oxo-[[3-[oxo-[(phenylmethyl)amino]methyl]-5-propyl-2-thiophenyl]amino]methyl]benzoic acid IUPAC Name: 4-[[3-(benzylcarbamoyl)-5-propylthiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[3-(benzylcarbamoyl)-5-propyl-2-thienyl]carbamoyl]benzoic acid Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O4S/c1-2-6-18-13-19(21(27)24-14-15-7-4-3-5-8-15)22(30-18)25-20(26)16-9-11-17(12-10-16)23(28)29/h3-5,7-13H,2,6,14H2,1H3,(H,24,27)(H,25,26)(H,28,29)