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

Systemtic Name: 2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(4-propanoylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-N-[4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-N-[4-(4-propionylpiperazino)phenyl]acetamide Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O3S/c1-2-21(29)27-11-9-26(10-12-27)17-6-4-16(5-7-17)24-20(28)14-31-22-25-18-13-15(23)3-8-19(18)30-22/h3-8,13H,2,9-12,14H2,1H3,(H,24,28)