N-[2-[(4-iodophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide

Systemtic Name: N-[2-[(4-iodophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Openeye Name: N-[2-[(4-iodophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide CAS Name: N-[2-[(4-iodophenyl)methylthio]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide IUPAC Name: N-[2-[(4-iodophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Traditional Name: N-[2-[(4-iodobenzyl)thio]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Formula: C21H21IN2OS2 MolecularWeight: 508.43871

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)I

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)I

InChI

InChI=1S/C21H21IN2OS2/c22-16-8-6-14(7-9-16)13-26-21-24-18-11-10-17(12-19(18)27-21)23-20(25)15-4-2-1-3-5-15/h6-12,15H,1-5,13H2,(H,23,25)