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

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-oxidanyl-2,6-di(propan-2-yl)phenyl]-2-piperazin-1-yl-butanamide Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-hydroxy-2,6-diisopropyl-phenyl)-2-piperazin-1-yl-butanamide CAS Name: 4-(1,3-benzoxazol-2-ylthio)-N-[3-hydroxy-2,6-di(propan-2-yl)phenyl]-2-(1-piperazinyl)butanamide IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-hydroxy-2,6-di(propan-2-yl)phenyl]-2-piperazin-1-ylbutanamide Traditional Name: 4-(1,3-benzoxazol-2-ylthio)-N-(3-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=C(C(=C(C=C1)O)C(C)C)NC(=O)C(CCSC2=NC3=CC=CC=C3O2)N4CCNCC4

Isomeric SMILES

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

InChI

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