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

Systemtic Name: N-[4-[2-ethanoyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-phenylsulfanyl-butan-2-yl]-2-methyl-3-oxidanyl-benzamide Openeye Name: N-[3-[2-acetyl-4-(3-pyridylmethyl)piperazin-1-yl]-2-hydroxy-1-(phenylsulfanylmethyl)propyl]-3-hydroxy-2-methyl-benzamide CAS Name: N-[4-[2-acetyl-4-(3-pyridinylmethyl)-1-piperazinyl]-3-hydroxy-1-(phenylthio)butan-2-yl]-3-hydroxy-2-methylbenzamide IUPAC Name: N-[4-[2-acetyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-hydroxy-1-phenylsulfanylbutan-2-yl]-3-hydroxy-2-methylbenzamide Traditional Name: N-[3-[2-acetyl-4-(3-pyridylmethyl)piperazino]-2-hydroxy-1-[(phenylthio)methyl]propyl]-3-hydroxy-2-methyl-benzamide Formula: C30H36N4O4S MolecularWeight: 548.69624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CCN(CC3C(=O)C)CC4=CN=CC=C4)O

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CCN(CC3C(=O)C)CC4=CN=CC=C4)O

InChI

InChI=1S/C30H36N4O4S/c1-21-25(11-6-12-28(21)36)30(38)32-26(20-39-24-9-4-3-5-10-24)29(37)19-34-15-14-33(18-27(34)22(2)35)17-23-8-7-13-31-16-23/h3-13,16,26-27,29,36-37H,14-15,17-20H2,1-2H3,(H,32,38)