2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[4-(4-p-toluoylpiperazino)phenyl]acetamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C27H26N4O3S/c1-19-6-8-20(9-7-19)26(33)31-16-14-30(15-17-31)22-12-10-21(11-13-22)28-25(32)18-35-27-29-23-4-2-3-5-24(23)34-27/h2-13H,14-18H2,1H3,(H,28,32)