2-[4-[5-azanyl-6-oxidanylidene-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]-3H-benzimidazole-5-carbonitrile

Systemtic Name: 2-[4-[5-azanyl-6-oxidanylidene-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]-3H-benzimidazole-5-carbonitrile Openeye Name: 2-[4-(5-amino-6-oxo-6-thiazolidin-3-yl-hexyl)piperazin-1-yl]-3H-benzimidazole-5-carbonitrile CAS Name: 2-[4-[5-amino-6-oxo-6-(3-thiazolidinyl)hexyl]-1-piperazinyl]-3H-benzimidazole-5-carbonitrile IUPAC Name: 2-[4-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]-3H-benzimidazole-5-carbonitrile Traditional Name: 2-[4-(5-amino-6-keto-6-thiazolidin-3-yl-hexyl)piperazino]-3H-benzimidazole-5-carbonitrile Formula: C21H29N7OS MolecularWeight: 427.56626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC(C(=O)N2CCSC2)N)C3=NC4=C(N3)C=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1CCCCC(C(=O)N2CCSC2)N)C3=NC4=C(N3)C=C(C=C4)C#N

InChI

InChI=1S/C21H29N7OS/c22-14-16-4-5-18-19(13-16)25-21(24-18)27-9-7-26(8-10-27)6-2-1-3-17(23)20(29)28-11-12-30-15-28/h4-5,13,17H,1-3,6-12,15,23H2,(H,24,25)