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

Systemtic Name: N-[[2-(3-chloranyl-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[[2-(3-chloro-4-methoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C19H20ClN5O2S MolecularWeight: 417.9124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C19H20ClN5O2S/c1-19(2,3)17(26)22-18(28)21-11-5-7-14-15(9-11)24-25(23-14)12-6-8-16(27-4)13(20)10-12/h5-10H,1-4H3,(H2,21,22,26,28)