2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(4-ethanoylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(4-ethanoylpiperazin-1-yl)phenyl]ethanamide Openeye Name: N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamide CAS Name: N-[4-(4-acetyl-1-piperazinyl)phenyl]-2-[(5-chloro-1,3-benzoxazol-2-yl)thio]acetamide IUPAC Name: N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamide Traditional Name: N-[4-(4-acetylpiperazino)phenyl]-2-[(5-chloro-1,3-benzoxazol-2-yl)thio]acetamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H21ClN4O3S/c1-14(27)25-8-10-26(11-9-25)17-5-3-16(4-6-17)23-20(28)13-30-21-24-18-12-15(22)2-7-19(18)29-21/h2-7,12H,8-11,13H2,1H3,(H,23,28)