3-bromanyl-4-ethoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C22H18BrN5O2S MolecularWeight: 496.37962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC=C4)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC=C4)Br

InChI

InChI=1S/C22H18BrN5O2S/c1-2-30-20-11-8-14(12-17(20)23)21(29)25-22(31)24-15-9-10-18-19(13-15)27-28(26-18)16-6-4-3-5-7-16/h3-13H,2H2,1H3,(H2,24,25,29,31)