2-(4-bromanylphenoxy)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]acetamide Formula: C20H20BrN3O2S2 MolecularWeight: 478.4257

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3O2S2/c1-2-3-4-13-5-10-16-17(11-13)28-20(22-16)24-19(27)23-18(25)12-26-15-8-6-14(21)7-9-15/h5-11H,2-4,12H2,1H3,(H2,22,23,24,25,27)