N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[4-(methylthio)phenyl]ethanamine IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine Traditional Name: 1,3-benzothiazol-2-ylmethyl-[1-[4-(methylthio)phenyl]ethyl]amine Formula: C17H18N2S2 MolecularWeight: 314.46822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)NCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)NCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H18N2S2/c1-12(13-7-9-14(20-2)10-8-13)18-11-17-19-15-5-3-4-6-16(15)21-17/h3-10,12,18H,11H2,1-2H3