2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)pyridin-3-yl]ethanamide

Systemtic Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)pyridin-3-yl]ethanamide Openeye Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[2,4-bis(isopropylsulfanyl)-6-methyl-3-pyridyl]acetamide CAS Name: 2-[4-[2-(1,3-benzoxazol-2-ylthio)ethyl]-1-piperazinyl]-N-[6-methyl-2,4-bis(propan-2-ylthio)-3-pyridinyl]acetamide IUPAC Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)pyridin-3-yl]acetamide Traditional Name: 2-[4-[2-(1,3-benzoxazol-2-ylthio)ethyl]piperazino]-N-[2,4-bis(isopropylthio)-6-methyl-3-pyridyl]acetamide Formula: C27H37N5O2S3 MolecularWeight: 559.80998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)SC(C)C)NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC=C4O3)SC(C)C

Isomeric SMILES

CC1=NC(=C(C(=C1)SC(C)C)NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC=C4O3)SC(C)C

InChI

InChI=1S/C27H37N5O2S3/c1-18(2)36-23-16-20(5)28-26(37-19(3)4)25(23)30-24(33)17-32-12-10-31(11-13-32)14-15-35-27-29-21-8-6-7-9-22(21)34-27/h6-9,16,18-19H,10-15,17H2,1-5H3,(H,30,33)