5-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-methoxy-2,6-di(propan-2-yl)phenyl]-2-piperazin-1-yl-pentanamide

Systemtic Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-methoxy-2,6-di(propan-2-yl)phenyl]-2-piperazin-1-yl-pentanamide Openeye Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,6-diisopropyl-3-methoxy-phenyl)-2-piperazin-1-yl-pentanamide CAS Name: 5-(1,3-benzoxazol-2-ylthio)-N-[3-methoxy-2,6-di(propan-2-yl)phenyl]-2-(1-piperazinyl)pentanamide IUPAC Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-methoxy-2,6-di(propan-2-yl)phenyl]-2-piperazin-1-ylpentanamide Traditional Name: 5-(1,3-benzoxazol-2-ylthio)-N-(2,6-diisopropyl-3-methoxy-phenyl)-2-piperazino-valeramide Formula: C29H40N4O3S MolecularWeight: 524.7179

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(C=C1)OC)C(C)C)NC(=O)C(CCCSC2=NC3=CC=CC=C3O2)N4CCNCC4

Isomeric SMILES

CC(C)C1=C(C(=C(C=C1)OC)C(C)C)NC(=O)C(CCCSC2=NC3=CC=CC=C3O2)N4CCNCC4

InChI

InChI=1S/C29H40N4O3S/c1-19(2)21-12-13-25(35-5)26(20(3)4)27(21)32-28(34)23(33-16-14-30-15-17-33)10-8-18-37-29-31-22-9-6-7-11-24(22)36-29/h6-7,9,11-13,19-20,23,30H,8,10,14-18H2,1-5H3,(H,32,34)