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

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

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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=C2)C4=CC(=C(C=C4)OC)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC(=C(C=C4)OC)Cl)OC

InChI

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