2-[(6-chloranyl-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]-1,2,3,3a,4,5,6,6a-octahydropentalene-1,4-diol

Systemtic Name: 2-[(6-chloranyl-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]-1,2,3,3a,4,5,6,6a-octahydropentalene-1,4-diol Openeye Name: 2-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]-1,2,3,3a,4,5,6,6a-octahydropentalene-1,4-diol CAS Name: 2-[[6-chloro-5-(1-piperazinyl)-1H-benzimidazol-2-yl]thio]-1,2,3,3a,4,5,6,6a-octahydropentalene-1,4-diol IUPAC Name: 2-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]-1,2,3,3a,4,5,6,6a-octahydropentalene-1,4-diol Traditional Name: 2-[(6-chloro-5-piperazino-1H-benzimidazol-2-yl)thio]-1,2,3,3a,4,5,6,6a-octahydropentalene-1,4-diol Formula: C19H25ClN4O2S MolecularWeight: 408.9454

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2C1C(C(C2)SC3=NC4=CC(=C(C=C4N3)Cl)N5CCNCC5)O)O

Isomeric SMILES

C1CC(C2C1C(C(C2)SC3=NC4=CC(=C(C=C4N3)Cl)N5CCNCC5)O)O

InChI

InChI=1S/C19H25ClN4O2S/c20-12-8-13-14(9-15(12)24-5-3-21-4-6-24)23-19(22-13)27-17-7-11-10(18(17)26)1-2-16(11)25/h8-11,16-18,21,25-26H,1-7H2,(H,22,23)