3-bromanyl-N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-4-ethoxy-benzamide Formula: C22H17BrClN5O2S MolecularWeight: 530.82468

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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=C2Cl)C4=CC=CC=C4)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4)Br

InChI

InChI=1S/C22H17BrClN5O2S/c1-2-31-20-9-8-13(10-15(20)23)21(30)26-22(32)25-17-12-19-18(11-16(17)24)27-29(28-19)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,25,26,30,32)