N-[2,4-bis(ethylsulfanyl)-6-methyl-pyridin-3-yl]-4-[(7-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]-2-piperazin-1-yl-butanamide

Systemtic Name: N-[2,4-bis(ethylsulfanyl)-6-methyl-pyridin-3-yl]-4-[(7-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]-2-piperazin-1-yl-butanamide Openeye Name: N-[2,4-bis(ethylsulfanyl)-6-methyl-3-pyridyl]-4-[(7-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]-2-piperazin-1-yl-butanamide CAS Name: N-[2,4-bis(ethylthio)-6-methyl-3-pyridinyl]-4-[(7-tert-butyl-1,3-benzoxazol-2-yl)thio]-2-(1-piperazinyl)butanamide IUPAC Name: N-[2,4-bis(ethylsulfanyl)-6-methylpyridin-3-yl]-4-[(7-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]-2-piperazin-1-ylbutanamide Traditional Name: N-[2,4-bis(ethylthio)-6-methyl-3-pyridyl]-4-[(7-tert-butyl-1,3-benzoxazol-2-yl)thio]-2-piperazino-butyramide Formula: C29H41N5O2S3 MolecularWeight: 587.86314

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=NC(=C1NC(=O)C(CCSC2=NC3=CC=CC(=C3O2)C(C)(C)C)N4CCNCC4)SCC)C

Isomeric SMILES

CCSC1=CC(=NC(=C1NC(=O)C(CCSC2=NC3=CC=CC(=C3O2)C(C)(C)C)N4CCNCC4)SCC)C

InChI

InChI=1S/C29H41N5O2S3/c1-7-37-23-18-19(3)31-27(38-8-2)24(23)33-26(35)22(34-15-13-30-14-16-34)12-17-39-28-32-21-11-9-10-20(25(21)36-28)29(4,5)6/h9-11,18,22,30H,7-8,12-17H2,1-6H3,(H,33,35)