2-(1,3-benzothiazol-2-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]cyclohexane-1-carboxamide

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]cyclohexane-1-carboxamide Openeye Name: 2-(1,3-benzothiazol-2-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]cyclohexanecarboxamide CAS Name: 2-(1,3-benzothiazol-2-yl)-N-[2-[(2-cyanophenyl)methylthio]ethyl]-1-cyclohexanecarboxamide IUPAC Name: 2-(1,3-benzothiazol-2-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]cyclohexane-1-carboxamide Traditional Name: 2-(1,3-benzothiazol-2-yl)-N-[2-[(2-cyanobenzyl)thio]ethyl]cyclohexanecarboxamide Formula: C24H25N3OS2 MolecularWeight: 435.6048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=NC3=CC=CC=C3S2)C(=O)NCCSCC4=CC=CC=C4C#N

Isomeric SMILES

C1CCC(C(C1)C2=NC3=CC=CC=C3S2)C(=O)NCCSCC4=CC=CC=C4C#N

InChI

InChI=1S/C24H25N3OS2/c25-15-17-7-1-2-8-18(17)16-29-14-13-26-23(28)19-9-3-4-10-20(19)24-27-21-11-5-6-12-22(21)30-24/h1-2,5-8,11-12,19-20H,3-4,9-10,13-14,16H2,(H,26,28)