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

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-methoxy-2,6-di(propan-2-yl)phenyl]-2-piperazin-1-yl-butanamide Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,6-diisopropyl-4-methoxy-phenyl)-2-piperazin-1-yl-butanamide CAS Name: 4-(1,3-benzoxazol-2-ylthio)-N-[4-methoxy-2,6-di(propan-2-yl)phenyl]-2-(1-piperazinyl)butanamide IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-methoxy-2,6-di(propan-2-yl)phenyl]-2-piperazin-1-ylbutanamide Traditional Name: 4-(1,3-benzoxazol-2-ylthio)-N-(2,6-diisopropyl-4-methoxy-phenyl)-2-piperazino-butyramide Formula: C28H38N4O3S MolecularWeight: 510.69132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N4O3S/c1-18(2)21-16-20(34-5)17-22(19(3)4)26(21)31-27(33)24(32-13-11-29-12-14-32)10-15-36-28-30-23-8-6-7-9-25(23)35-28/h6-9,16-19,24,29H,10-15H2,1-5H3,(H,31,33)