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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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