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

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]-2-piperazin-1-yl-butanamide Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,6-diisopropylphenyl)-2-piperazin-1-yl-butanamide CAS Name: 4-(1,3-benzoxazol-2-ylthio)-N-[2,6-di(propan-2-yl)phenyl]-2-(1-piperazinyl)butanamide IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]-2-piperazin-1-ylbutanamide Traditional Name: 4-(1,3-benzoxazol-2-ylthio)-N-(2,6-diisopropylphenyl)-2-piperazino-butyramide Formula: C27H36N4O2S MolecularWeight: 480.66534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O2S/c1-18(2)20-8-7-9-21(19(3)4)25(20)30-26(32)23(31-15-13-28-14-16-31)12-17-34-27-29-22-10-5-6-11-24(22)33-27/h5-11,18-19,23,28H,12-17H2,1-4H3,(H,30,32)