4-[(7-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]-2-piperazin-1-yl-butanamide

Systemtic Name: 4-[(7-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]-2-piperazin-1-yl-butanamide Openeye Name: 4-[(7-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(2,6-diisopropylphenyl)-2-piperazin-1-yl-butanamide CAS Name: 4-[(7-tert-butyl-1,3-benzoxazol-2-yl)thio]-N-[2,6-di(propan-2-yl)phenyl]-2-(1-piperazinyl)butanamide IUPAC Name: 4-[(7-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]-2-piperazin-1-ylbutanamide Traditional Name: 4-[(7-tert-butyl-1,3-benzoxazol-2-yl)thio]-N-(2,6-diisopropylphenyl)-2-piperazino-butyramide Formula: C31H44N4O2S MolecularWeight: 536.77166

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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)C(C)(C)C)N4CCNCC4

Isomeric SMILES

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

InChI

InChI=1S/C31H44N4O2S/c1-20(2)22-10-8-11-23(21(3)4)27(22)34-29(36)26(35-17-15-32-16-18-35)14-19-38-30-33-25-13-9-12-24(28(25)37-30)31(5,6)7/h8-13,20-21,26,32H,14-19H2,1-7H3,(H,34,36)