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

Systemtic Name: 2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-N-[4-(4-cyclohexyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-N-[4-(4-cyclohexylpiperazino)phenyl]acetamide Formula: C25H29ClN4O2S MolecularWeight: 485.04136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=NC5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=NC5=C(O4)C=CC(=C5)Cl

InChI

InChI=1S/C25H29ClN4O2S/c26-18-6-11-23-22(16-18)28-25(32-23)33-17-24(31)27-19-7-9-21(10-8-19)30-14-12-29(13-15-30)20-4-2-1-3-5-20/h6-11,16,20H,1-5,12-15,17H2,(H,27,31)