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

Systemtic Name: 2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[2-(4-prop-2-ynylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[2-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-N-[2-(4-prop-2-ynyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[2-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-N-[2-(4-propargylpiperazino)phenyl]acetamide Formula: C22H21ClN4O2S MolecularWeight: 440.94574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCN(CC1)C2=CC=CC=C2NC(=O)CSC3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C#CCN1CCN(CC1)C2=CC=CC=C2NC(=O)CSC3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C22H21ClN4O2S/c1-2-9-26-10-12-27(13-11-26)19-6-4-3-5-17(19)24-21(28)15-30-22-25-18-14-16(23)7-8-20(18)29-22/h1,3-8,14H,9-13,15H2,(H,24,28)