[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [2-[(1,3-benzoxazol-2-ylthio)methyl]phenyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [2-[(1,3-benzoxazol-2-ylthio)methyl]phenyl]-(4-phenylpiperazino)methanone Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H23N3O2S/c29-24(28-16-14-27(15-17-28)20-9-2-1-3-10-20)21-11-5-4-8-19(21)18-31-25-26-22-12-6-7-13-23(22)30-25/h1-13H,14-18H2