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

Systemtic Name: 4-[(7-ethanoyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[4-methoxy-2,6-di(propan-2-yl)phenyl]-2-piperazin-1-yl-butanamide Openeye Name: 4-[(7-acetyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(2,6-diisopropyl-4-methoxy-phenyl)-2-piperazin-1-yl-butanamide CAS Name: 4-[(7-acetyl-1,3-benzoxazol-2-yl)thio]-N-[4-methoxy-2,6-di(propan-2-yl)phenyl]-2-(1-piperazinyl)butanamide IUPAC Name: 4-[(7-acetyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[4-methoxy-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-diisopropyl-4-methoxy-phenyl)-2-piperazino-butyramide Formula: C30H40N4O4S MolecularWeight: 552.728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H40N4O4S/c1-18(2)23-16-21(37-6)17-24(19(3)4)27(23)33-29(36)26(34-13-11-31-12-14-34)10-15-39-30-32-25-9-7-8-22(20(5)35)28(25)38-30/h7-9,16-19,26,31H,10-15H2,1-6H3,(H,33,36)