2-[1,3-benzothiazol-2-yl-[(4-chlorophenyl)methyl]amino]-N-tert-butyl-octanethioamide

Systemtic Name: 2-[1,3-benzothiazol-2-yl-[(4-chlorophenyl)methyl]amino]-N-tert-butyl-octanethioamide Openeye Name: 2-[1,3-benzothiazol-2-yl-[(4-chlorophenyl)methyl]amino]-N-tert-butyl-octanethioamide CAS Name: 2-[1,3-benzothiazol-2-yl-[(4-chlorophenyl)methyl]amino]-N-tert-butyloctanethioamide IUPAC Name: 2-[1,3-benzothiazol-2-yl-[(4-chlorophenyl)methyl]amino]-N-tert-butyloctanethioamide Traditional Name: 2-[1,3-benzothiazol-2-yl-(4-chlorobenzyl)amino]-N-tert-butyl-thiocaprylamide Formula: C26H34ClN3S2 MolecularWeight: 488.15126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=S)NC(C)(C)C)N(CC1=CC=C(C=C1)Cl)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCCC(C(=S)NC(C)(C)C)N(CC1=CC=C(C=C1)Cl)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C26H34ClN3S2/c1-5-6-7-8-12-22(24(31)29-26(2,3)4)30(18-19-14-16-20(27)17-15-19)25-28-21-11-9-10-13-23(21)32-25/h9-11,13-17,22H,5-8,12,18H2,1-4H3,(H,29,31)