4-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylsulfanylpyridin-3-yl)-2-piperazin-1-yl-butanamide dihydrochloride

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylsulfanylpyridin-3-yl)-2-piperazin-1-yl-butanamide dihydrochloride Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylsulfanyl-3-pyridyl)-2-piperazin-1-yl-butanamide dihydrochloride CAS Name: 4-(1,3-benzoxazol-2-ylthio)-N-[2-(methylthio)-3-pyridinyl]-2-(1-piperazinyl)butanamide dihydrochloride IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylsulfanylpyridin-3-yl)-2-piperazin-1-ylbutanamide dihydrochloride Traditional Name: 4-(1,3-benzoxazol-2-ylthio)-N-[2-(methylthio)-3-pyridyl]-2-piperazino-butyramide dihydrochloride Formula: C21H27Cl2N5O2S2 MolecularWeight: 516.50738

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)NC(=O)C(CCSC2=NC3=CC=CC=C3O2)N4CCNCC4.Cl.Cl

Isomeric SMILES

CSC1=C(C=CC=N1)NC(=O)C(CCSC2=NC3=CC=CC=C3O2)N4CCNCC4.Cl.Cl

InChI

InChI=1S/C21H25N5O2S2.2ClH/c1-29-20-16(6-4-9-23-20)24-19(27)17(26-12-10-22-11-13-26)8-14-30-21-25-15-5-2-3-7-18(15)28-21;;/h2-7,9,17,22H,8,10-14H2,1H3,(H,24,27);2*1H