2-[4-[(6-chloranyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]-N-(2-methylpropyl)ethanamide

Systemtic Name: 2-[4-[(6-chloranyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]-N-(2-methylpropyl)ethanamide Openeye Name: 2-[4-[(6-chloro-2-thioxo-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]-N-isobutyl-acetamide CAS Name: 2-[4-[(6-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-1-piperazinyl]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[4-[(6-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide Traditional Name: 2-[4-[(6-chloro-2-thioxo-1,3-benzoxazol-3-yl)methyl]piperazino]-N-isobutyl-acetamide Formula: C18H25ClN4O2S MolecularWeight: 396.9347

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CN1CCN(CC1)CN2C3=C(C=C(C=C3)Cl)OC2=S

Isomeric SMILES

CC(C)CNC(=O)CN1CCN(CC1)CN2C3=C(C=C(C=C3)Cl)OC2=S

InChI

InChI=1S/C18H25ClN4O2S/c1-13(2)10-20-17(24)11-21-5-7-22(8-6-21)12-23-15-4-3-14(19)9-16(15)25-18(23)26/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,20,24)