1-[(6-chloranyl-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[(6-chloranyl-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[6-chloro-5-(1-piperazinyl)-1H-benzimidazol-2-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[(6-chloro-5-piperazino-1H-benzimidazol-2-yl)thio]-3,3-dimethyl-butan-2-one Formula: C17H23ClN4OS MolecularWeight: 366.90872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3

InChI

InChI=1S/C17H23ClN4OS/c1-17(2,3)15(23)10-24-16-20-12-8-11(18)14(9-13(12)21-16)22-6-4-19-5-7-22/h8-9,19H,4-7,10H2,1-3H3,(H,20,21)