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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC=CC=C3

InChI

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