2-[[2-[(4-chlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-[(4-chlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Openeye Name: 2-[[2-[(4-chlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid CAS Name: 2-[[[2-[(4-chlorophenyl)methylthio]-1,3-benzothiazol-6-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-[(4-chlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Traditional Name: 2-[[2-[(4-chlorobenzyl)thio]-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Formula: C22H15ClN2O3S2 MolecularWeight: 454.9491

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C22H15ClN2O3S2/c23-14-7-5-13(6-8-14)12-29-22-25-18-10-9-15(11-19(18)30-22)24-20(26)16-3-1-2-4-17(16)21(27)28/h1-11H,12H2,(H,24,26)(H,27,28)