2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-(4-p-anisoylpiperazino)ethanone Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O4S/c1-27-16-8-6-15(7-9-16)20(26)24-12-10-23(11-13-24)19(25)14-29-21-22-17-4-2-3-5-18(17)28-21/h2-9H,10-14H2,1H3