4-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-oxidanyl-2,6-di(propan-2-yl)phenyl]-2-piperazin-1-yl-butanamide

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-oxidanyl-2,6-di(propan-2-yl)phenyl]-2-piperazin-1-yl-butanamide Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-hydroxy-2,6-diisopropyl-phenyl)-2-piperazin-1-yl-butanamide CAS Name: 4-(1,3-benzoxazol-2-ylthio)-N-[4-hydroxy-2,6-di(propan-2-yl)phenyl]-2-(1-piperazinyl)butanamide IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-hydroxy-2,6-di(propan-2-yl)phenyl]-2-piperazin-1-ylbutanamide Traditional Name: 4-(1,3-benzoxazol-2-ylthio)-N-(4-hydroxy-2,6-diisopropyl-phenyl)-2-piperazino-butyramide Formula: C27H36N4O3S MolecularWeight: 496.66474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1NC(=O)C(CCSC2=NC3=CC=CC=C3O2)N4CCNCC4)C(C)C)O

Isomeric SMILES

CC(C)C1=CC(=CC(=C1NC(=O)C(CCSC2=NC3=CC=CC=C3O2)N4CCNCC4)C(C)C)O

InChI

InChI=1S/C27H36N4O3S/c1-17(2)20-15-19(32)16-21(18(3)4)25(20)30-26(33)23(31-12-10-28-11-13-31)9-14-35-27-29-22-7-5-6-8-24(22)34-27/h5-8,15-18,23,28,32H,9-14H2,1-4H3,(H,30,33)