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

Systemtic Name: 3-bromanyl-N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-4-methoxy-benzamide Formula: C21H15BrClN5O2S MolecularWeight: 516.7981

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4)Br

InChI

InChI=1S/C21H15BrClN5O2S/c1-30-19-8-7-12(9-14(19)22)20(29)25-21(31)24-16-11-18-17(10-15(16)23)26-28(27-18)13-5-3-2-4-6-13/h2-11H,1H3,(H2,24,25,29,31)