2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-chloranyl-phenoxy]-N,N-diethyl-ethanamine

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-chloranyl-phenoxy]-N,N-diethyl-ethanamine Openeye Name: 2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-chloro-phenoxy]-N,N-diethyl-ethanamine CAS Name: 2-[4-[(1,3-benzothiazol-2-ylthio)methyl]-2-chlorophenoxy]-N,N-diethylethanamine IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-chlorophenoxy]-N,N-diethylethanamine Traditional Name: 2-[4-[(1,3-benzothiazol-2-ylthio)methyl]-2-chloro-phenoxy]ethyl-diethyl-amine Formula: C20H23ClN2OS2 MolecularWeight: 406.99242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C(C=C(C=C1)CSC2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CCN(CC)CCOC1=C(C=C(C=C1)CSC2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H23ClN2OS2/c1-3-23(4-2)11-12-24-18-10-9-15(13-16(18)21)14-25-20-22-17-7-5-6-8-19(17)26-20/h5-10,13H,3-4,11-12,14H2,1-2H3