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

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C23H20ClN5O4S MolecularWeight: 497.954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H20ClN5O4S/c1-31-19-9-13(10-20(32-2)21(19)33-3)22(30)26-23(34)25-16-12-18-17(11-15(16)24)27-29(28-18)14-7-5-4-6-8-14/h4-12H,1-3H3,(H2,25,26,30,34)