N-[4-[2-ethanoyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-methylsulfanyl-3-oxidanyl-butan-2-yl]-2-methyl-3-oxidanyl-benzamide

Systemtic Name: N-[4-[2-ethanoyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-methylsulfanyl-3-oxidanyl-butan-2-yl]-2-methyl-3-oxidanyl-benzamide Openeye Name: N-[3-[2-acetyl-4-(3-pyridylmethyl)piperazin-1-yl]-2-hydroxy-1-(methylsulfanylmethyl)propyl]-3-hydroxy-2-methyl-benzamide CAS Name: N-[4-[2-acetyl-4-(3-pyridinylmethyl)-1-piperazinyl]-3-hydroxy-1-(methylthio)butan-2-yl]-3-hydroxy-2-methylbenzamide IUPAC Name: N-[4-[2-acetyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-hydroxy-1-methylsulfanylbutan-2-yl]-3-hydroxy-2-methylbenzamide Traditional Name: N-[3-[2-acetyl-4-(3-pyridylmethyl)piperazino]-2-hydroxy-1-[(methylthio)methyl]propyl]-3-hydroxy-2-methyl-benzamide Formula: C25H34N4O4S MolecularWeight: 486.62686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC(CSC)C(CN2CCN(CC2C(=O)C)CC3=CN=CC=C3)O

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)NC(CSC)C(CN2CCN(CC2C(=O)C)CC3=CN=CC=C3)O

InChI

InChI=1S/C25H34N4O4S/c1-17-20(7-4-8-23(17)31)25(33)27-21(16-34-3)24(32)15-29-11-10-28(14-22(29)18(2)30)13-19-6-5-9-26-12-19/h4-9,12,21-22,24,31-32H,10-11,13-16H2,1-3H3,(H,27,33)