N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide

Systemtic Name: N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide Openeye Name: N-(2-isopentylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide CAS Name: N-[2-(3-methylbutylthio)-1,3-benzothiazol-6-yl]-1-naphthalenecarboxamide IUPAC Name: N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide Traditional Name: N-[2-(isoamylthio)-1,3-benzothiazol-6-yl]-1-naphthamide Formula: C23H22N2OS2 MolecularWeight: 406.56358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H22N2OS2/c1-15(2)12-13-27-23-25-20-11-10-17(14-21(20)28-23)24-22(26)19-9-5-7-16-6-3-4-8-18(16)19/h3-11,14-15H,12-13H2,1-2H3,(H,24,26)