4-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methyl-6-methylsulfanyl-pyridin-3-yl)-2-piperazin-1-yl-butanamide

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methyl-6-methylsulfanyl-pyridin-3-yl)-2-piperazin-1-yl-butanamide Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methyl-6-methylsulfanyl-3-pyridyl)-2-piperazin-1-yl-butanamide CAS Name: 4-(1,3-benzoxazol-2-ylthio)-N-[2-methyl-6-(methylthio)-3-pyridinyl]-2-(1-piperazinyl)butanamide IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methyl-6-methylsulfanylpyridin-3-yl)-2-piperazin-1-ylbutanamide Traditional Name: 4-(1,3-benzoxazol-2-ylthio)-N-[2-methyl-6-(methylthio)-3-pyridyl]-2-piperazino-butyramide Formula: C22H27N5O2S2 MolecularWeight: 457.61208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)SC)NC(=O)C(CCSC2=NC3=CC=CC=C3O2)N4CCNCC4

Isomeric SMILES

CC1=C(C=CC(=N1)SC)NC(=O)C(CCSC2=NC3=CC=CC=C3O2)N4CCNCC4

InChI

InChI=1S/C22H27N5O2S2/c1-15-16(7-8-20(24-15)30-2)25-21(28)18(27-12-10-23-11-13-27)9-14-31-22-26-17-5-3-4-6-19(17)29-22/h3-8,18,23H,9-14H2,1-2H3,(H,25,28)