N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3,5-dimethoxy-benzamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3,5-dimethoxy-benzamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-3,5-dimethoxybenzamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-3,5-dimethoxy-benzamide Formula: C22H18ClN5O3S MolecularWeight: 467.92802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN5O3S/c1-30-15-8-13(9-16(10-15)31-2)21(29)25-22(32)24-18-12-20-19(11-17(18)23)26-28(27-20)14-6-4-3-5-7-14/h3-12H,1-2H3,(H2,24,25,29,32)