N-(5-methyl-1,2-oxazol-3-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-butanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]butanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]butanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylbutanamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]butyramide Formula: C18H25N5O4S2 MolecularWeight: 439.5522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)SC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)SC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C18H25N5O4S2/c1-4-15(18(24)20-16-11-13(2)27-21-16)28-17-6-5-14(12-19-17)29(25,26)23-9-7-22(3)8-10-23/h5-6,11-12,15H,4,7-10H2,1-3H3,(H,20,21,24)