4-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)pyridin-3-yl]-2-piperazin-1-yl-butanamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)pyridin-3-yl]-2-piperazin-1-yl-butanamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-[2,4-bis(isopropylsulfanyl)-6-methyl-3-pyridyl]-2-piperazin-1-yl-butanamide CAS Name: 4-(1H-benzimidazol-2-ylthio)-N-[6-methyl-2,4-bis(propan-2-ylthio)-3-pyridinyl]-2-(1-piperazinyl)butanamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)pyridin-3-yl]-2-piperazin-1-ylbutanamide Traditional Name: 4-(1H-benzimidazol-2-ylthio)-N-[2,4-bis(isopropylthio)-6-methyl-3-pyridyl]-2-piperazino-butyramide Formula: C27H38N6OS3 MolecularWeight: 558.82522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)SC(C)C)NC(=O)C(CCSC2=NC3=CC=CC=C3N2)N4CCNCC4)SC(C)C

Isomeric SMILES

CC1=NC(=C(C(=C1)SC(C)C)NC(=O)C(CCSC2=NC3=CC=CC=C3N2)N4CCNCC4)SC(C)C

InChI

InChI=1S/C27H38N6OS3/c1-17(2)36-23-16-19(5)29-26(37-18(3)4)24(23)32-25(34)22(33-13-11-28-12-14-33)10-15-35-27-30-20-8-6-7-9-21(20)31-27/h6-9,16-18,22,28H,10-15H2,1-5H3,(H,30,31)(H,32,34)