6-chloranyl-5-[(3S)-3-methylpiperazin-1-yl]-2-pentan-3-ylsulfanyl-1H-benzimidazole

Systemtic Name: 6-chloranyl-5-[(3S)-3-methylpiperazin-1-yl]-2-pentan-3-ylsulfanyl-1H-benzimidazole Openeye Name: 6-chloro-2-(1-ethylpropylsulfanyl)-5-[(3S)-3-methylpiperazin-1-yl]-1H-benzimidazole CAS Name: 6-chloro-5-[(3S)-3-methyl-1-piperazinyl]-2-(pentan-3-ylthio)-1H-benzimidazole IUPAC Name: 6-chloro-5-[(3S)-3-methylpiperazin-1-yl]-2-pentan-3-ylsulfanyl-1H-benzimidazole Traditional Name: 6-chloro-2-(1-ethylpropylthio)-5-[(3S)-3-methylpiperazino]-1H-benzimidazole Formula: C17H25ClN4S MolecularWeight: 352.9252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN[C@H](C3)C

InChI

InChI=1S/C17H25ClN4S/c1-4-12(5-2)23-17-20-14-8-13(18)16(9-15(14)21-17)22-7-6-19-11(3)10-22/h8-9,11-12,19H,4-7,10H2,1-3H3,(H,20,21)/t11-/m0/s1