N-[[2-(3-chloranyl-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[[2-(3-chloranyl-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[[2-(3-chloro-4-methoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C20H22ClN5O2S MolecularWeight: 431.93898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C(C)(C)C)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C(C)(C)C)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C20H22ClN5O2S/c1-11-8-15-16(10-14(11)22-19(29)23-18(27)20(2,3)4)25-26(24-15)12-6-7-17(28-5)13(21)9-12/h6-10H,1-5H3,(H2,22,23,27,29)