methyl 1-(2-pentan-3-ylsulfanyl-3H-benzimidazol-5-yl)piperazine-2-carboxylate

Systemtic Name: methyl 1-(2-pentan-3-ylsulfanyl-3H-benzimidazol-5-yl)piperazine-2-carboxylate Openeye Name: methyl 1-[2-(1-ethylpropylsulfanyl)-3H-benzimidazol-5-yl]piperazine-2-carboxylate CAS Name: 1-[2-(pentan-3-ylthio)-3H-benzimidazol-5-yl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-pentan-3-ylsulfanyl-3H-benzimidazol-5-yl)piperazine-2-carboxylate Traditional Name: 1-[2-(1-ethylpropylthio)-3H-benzimidazol-5-yl]piperazine-2-carboxylic acid methyl ester Formula: C18H26N4O2S MolecularWeight: 362.48964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=C(N1)C=C(C=C2)N3CCNCC3C(=O)OC

Isomeric SMILES

CCC(CC)SC1=NC2=C(N1)C=C(C=C2)N3CCNCC3C(=O)OC

InChI

InChI=1S/C18H26N4O2S/c1-4-13(5-2)25-18-20-14-7-6-12(10-15(14)21-18)22-9-8-19-11-16(22)17(23)24-3/h6-7,10,13,16,19H,4-5,8-9,11H2,1-3H3,(H,20,21)