3-cyano-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 3-cyano-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3-cyano-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 3-cyano-N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-cyano-N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 3-cyano-N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]benzamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S2/c1-21(2,26-3)9-10-27-20-24-17-8-7-16(12-18(17)28-20)23-19(25)15-6-4-5-14(11-15)13-22/h4-8,11-12H,9-10H2,1-3H3,(H,23,25)