4-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperazine-2-carboxylic acid

Systemtic Name: 4-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperazine-2-carboxylic acid Openeye Name: 4-[6-chloro-2-(1-ethylpropylsulfanyl)-1H-benzimidazol-5-yl]piperazine-2-carboxylic acid CAS Name: 4-[6-chloro-2-(pentan-3-ylthio)-1H-benzimidazol-5-yl]-2-piperazinecarboxylic acid IUPAC Name: 4-(6-chloro-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperazine-2-carboxylic acid Traditional Name: 4-[6-chloro-2-(1-ethylpropylthio)-1H-benzimidazol-5-yl]piperazine-2-carboxylic acid Formula: C17H23ClN4O2S MolecularWeight: 382.90812

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCNC(C3)C(=O)O

Isomeric SMILES

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCNC(C3)C(=O)O

InChI

InChI=1S/C17H23ClN4O2S/c1-3-10(4-2)25-17-20-12-7-11(18)15(8-13(12)21-17)22-6-5-19-14(9-22)16(23)24/h7-8,10,14,19H,3-6,9H2,1-2H3,(H,20,21)(H,23,24)