4-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-methyl-N-prop-2-enyl-but-3-yn-1-amine

Systemtic Name: 4-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-methyl-N-prop-2-enyl-but-3-yn-1-amine Openeye Name: N-allyl-4-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-methyl-but-3-yn-1-amine CAS Name: 4-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-methyl-N-prop-2-enyl-3-butyn-1-amine IUPAC Name: 4-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-methyl-N-prop-2-enylbut-3-yn-1-amine Traditional Name: allyl-[4-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]but-3-ynyl]-methyl-amine Formula: C21H19BrN2S MolecularWeight: 411.35796

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#CC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Br)CC=C

Isomeric SMILES

CN(CCC#CC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Br)CC=C

InChI

InChI=1S/C21H19BrN2S/c1-3-13-24(2)14-5-4-6-16-7-12-19-20(15-16)25-23-21(19)17-8-10-18(22)11-9-17/h3,7-12,15H,1,5,13-14H2,2H3