(4-ethylpiperazin-1-yl)-[4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]methanone

Systemtic Name: (4-ethylpiperazin-1-yl)-[4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]methanone Openeye Name: (4-ethylpiperazin-1-yl)-[4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]methanone CAS Name: (4-ethyl-1-piperazinyl)-[4-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]phenyl]methanone IUPAC Name: (4-ethylpiperazin-1-yl)-[4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]methanone Traditional Name: (4-ethylpiperazino)-[4-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]phenyl]methanone Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=C(O3)C=CC(=C4)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=C(O3)C=CC(=C4)C

InChI

InChI=1S/C22H25N3O2S/c1-3-24-10-12-25(13-11-24)21(26)18-7-5-17(6-8-18)15-28-22-23-19-14-16(2)4-9-20(19)27-22/h4-9,14H,3,10-13,15H2,1-2H3