7-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]heptanamide

Systemtic Name: 7-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]heptanamide Openeye Name: 7-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-diisopropylphenyl)heptanamide CAS Name: 7-(1,3-benzothiazol-2-ylthio)-N-[2,6-di(propan-2-yl)phenyl]heptanamide IUPAC Name: 7-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]heptanamide Traditional Name: 7-(1,3-benzothiazol-2-ylthio)-N-(2,6-diisopropylphenyl)enanthamide Formula: C26H34N2OS2 MolecularWeight: 454.69096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CCCCCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CCCCCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C26H34N2OS2/c1-18(2)20-12-11-13-21(19(3)4)25(20)28-24(29)16-7-5-6-10-17-30-26-27-22-14-8-9-15-23(22)31-26/h8-9,11-15,18-19H,5-7,10,16-17H2,1-4H3,(H,28,29)