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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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