4-methoxy-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-methoxy-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]cyclohexane-1-carboxamide Openeye Name: 4-methoxy-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide CAS Name: 4-methoxy-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-methoxy-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]cyclohexane-1-carboxamide Traditional Name: 4-methoxy-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Formula: C21H24N2O2S3 MolecularWeight: 432.62246

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4

Isomeric SMILES

COC1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4

InChI

InChI=1S/C21H24N2O2S3/c1-25-17-5-2-15(3-6-17)20(24)22-16-4-7-18-19(12-16)28-21(23-18)27-11-9-14-8-10-26-13-14/h4,7-8,10,12-13,15,17H,2-3,5-6,9,11H2,1H3,(H,22,24)