3,4-dimethoxy-N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-(2-isopentylsulfanyl-1,3-benzothiazol-6-yl)-3,4-dimethoxy-benzamide CAS Name: 3,4-dimethoxy-N-[2-(3-methylbutylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3,4-dimethoxy-N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-(isoamylthio)-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H24N2O3S2/c1-13(2)9-10-27-21-23-16-7-6-15(12-19(16)28-21)22-20(24)14-5-8-17(25-3)18(11-14)26-4/h5-8,11-13H,9-10H2,1-4H3,(H,22,24)