6-(1,3-benzothiazol-2-yl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]cyclohex-3-ene-1-carboxamide Openeye Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(3-thienylmethylsulfanyl)ethyl]cyclohex-3-ene-1-carboxamide CAS Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(3-thiophenylmethylthio)ethyl]-1-cyclohex-3-enecarboxamide IUPAC Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]cyclohex-3-ene-1-carboxamide Traditional Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(3-thenylthio)ethyl]cyclohex-3-ene-1-carboxamide Formula: C21H22N2OS3 MolecularWeight: 414.60718

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C2=NC3=CC=CC=C3S2)C(=O)NCCSCC4=CSC=C4

Isomeric SMILES

C1C=CCC(C1C2=NC3=CC=CC=C3S2)C(=O)NCCSCC4=CSC=C4

InChI

InChI=1S/C21H22N2OS3/c24-20(22-10-12-26-14-15-9-11-25-13-15)16-5-1-2-6-17(16)21-23-18-7-3-4-8-19(18)27-21/h1-4,7-9,11,13,16-17H,5-6,10,12,14H2,(H,22,24)