2-(1,3-benzothiazol-2-yl)-N-[(3-bromophenyl)methyl]ethanamine

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-N-[(3-bromophenyl)methyl]ethanamine Openeye Name: 2-(1,3-benzothiazol-2-yl)-N-[(3-bromophenyl)methyl]ethanamine CAS Name: 2-(1,3-benzothiazol-2-yl)-N-[(3-bromophenyl)methyl]ethanamine IUPAC Name: 2-(1,3-benzothiazol-2-yl)-N-[(3-bromophenyl)methyl]ethanamine Traditional Name: 2-(1,3-benzothiazol-2-yl)ethyl-(3-bromobenzyl)amine Formula: C16H15BrN2S MolecularWeight: 347.2727

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCNCC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCNCC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H15BrN2S/c17-13-5-3-4-12(10-13)11-18-9-8-16-19-14-6-1-2-7-15(14)20-16/h1-7,10,18H,8-9,11H2