4-[[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]benzoic acid

Systemtic Name: 4-[[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamoyl]benzoic acid CAS Name: 4-[oxo-[[3-[oxo-(phenethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]methyl]benzoic acid IUPAC Name: 4-[[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamoyl]benzoic acid Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)C(=O)O)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)C(=O)O)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O4S/c28-22(17-10-12-18(13-11-17)25(30)31)27-24-21(19-8-4-5-9-20(19)32-24)23(29)26-15-14-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,14-15H2,(H,26,29)(H,27,28)(H,30,31)