3-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-4-chloro-benzoic acid CAS Name: 3-[[3-(1H-benzimidazol-2-ylthio)-1-oxopropyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-4-chlorobenzoic acid Traditional Name: 3-[3-(1H-benzimidazol-2-ylthio)propanoylamino]-4-chloro-benzoic acid Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C17H14ClN3O3S/c18-11-6-5-10(16(23)24)9-14(11)19-15(22)7-8-25-17-20-12-3-1-2-4-13(12)21-17/h1-6,9H,7-8H2,(H,19,22)(H,20,21)(H,23,24)