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

Systemtic Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-1-methyl-piperidine-3-carboxamide Openeye Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-1-methyl-piperidine-3-carboxamide CAS Name: N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-1-methyl-3-piperidinecarboxamide IUPAC Name: N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]-1-methylpiperidine-3-carboxamide Traditional Name: N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]-1-methyl-nipecotamide Formula: C20H29N3O2S2 MolecularWeight: 407.59316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN(C3)C)OC

Isomeric SMILES

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN(C3)C)OC

InChI

InChI=1S/C20H29N3O2S2/c1-20(2,25-4)9-11-26-19-22-16-8-7-15(12-17(16)27-19)21-18(24)14-6-5-10-23(3)13-14/h7-8,12,14H,5-6,9-11,13H2,1-4H3,(H,21,24)