N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-iodophenyl)ethanamine

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-iodophenyl)ethanamine Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-iodophenyl)ethanamine CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-iodophenyl)ethanamine IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-iodophenyl)ethanamine Traditional Name: 2-(1,3-benzothiazol-2-yl)ethyl-[1-(4-iodophenyl)ethyl]amine Formula: C17H17IN2S MolecularWeight: 408.29975

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)I)NCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C1=CC=C(C=C1)I)NCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H17IN2S/c1-12(13-6-8-14(18)9-7-13)19-11-10-17-20-15-4-2-3-5-16(15)21-17/h2-9,12,19H,10-11H2,1H3