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

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-4-[(7-ethanoyl-1,3-benzoxazol-2-yl)sulfanyl]-2-piperazin-1-yl-butanamide Openeye Name: 4-[(7-acetyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(2,6-diisopropylphenyl)-2-piperazin-1-yl-butanamide CAS Name: 4-[(7-acetyl-1,3-benzoxazol-2-yl)thio]-N-[2,6-di(propan-2-yl)phenyl]-2-(1-piperazinyl)butanamide IUPAC Name: 4-[(7-acetyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]-2-piperazin-1-ylbutanamide Traditional Name: 4-[(7-acetyl-1,3-benzoxazol-2-yl)thio]-N-(2,6-diisopropylphenyl)-2-piperazino-butyramide Formula: C29H38N4O3S MolecularWeight: 522.70202

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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(=O)C)N4CCNCC4

Isomeric SMILES

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

InChI

InChI=1S/C29H38N4O3S/c1-18(2)21-8-6-9-22(19(3)4)26(21)32-28(35)25(33-15-13-30-14-16-33)12-17-37-29-31-24-11-7-10-23(20(5)34)27(24)36-29/h6-11,18-19,25,30H,12-17H2,1-5H3,(H,32,35)