2-[[6-chloranyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]-1-morpholin-4-yl-butan-1-one

Systemtic Name: 2-[[6-chloranyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]-1-morpholin-4-yl-butan-1-one Openeye Name: 2-[[6-chloro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]-1-morpholino-butan-1-one CAS Name: 2-[[6-chloro-5-[4-(2-hydroxyethyl)-1-piperazinyl]-1H-benzimidazol-2-yl]thio]-1-(4-morpholinyl)-1-butanone IUPAC Name: 2-[[6-chloro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]-1-morpholin-4-ylbutan-1-one Traditional Name: 2-[[6-chloro-5-[4-(2-hydroxyethyl)piperazino]-1H-benzimidazol-2-yl]thio]-1-morpholino-butan-1-one Formula: C21H30ClN5O3S MolecularWeight: 468.0126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCOCC1)SC2=NC3=CC(=C(C=C3N2)Cl)N4CCN(CC4)CCO

Isomeric SMILES

CCC(C(=O)N1CCOCC1)SC2=NC3=CC(=C(C=C3N2)Cl)N4CCN(CC4)CCO

InChI

InChI=1S/C21H30ClN5O3S/c1-2-19(20(29)27-8-11-30-12-9-27)31-21-23-16-13-15(22)18(14-17(16)24-21)26-5-3-25(4-6-26)7-10-28/h13-14,19,28H,2-12H2,1H3,(H,23,24)