2,2-dimethyl-N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]propanamide

Systemtic Name: 2,2-dimethyl-N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]propanamide Openeye Name: N-[[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: 2,2-dimethyl-N-[[[6-methyl-2-(4-propan-2-ylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: 2,2-dimethyl-N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]propanamide Traditional Name: 2,2-dimethyl-N-[(6-methyl-2-p-cumenyl-benzotriazol-5-yl)thiocarbamoyl]propionamide Formula: C22H27N5OS MolecularWeight: 409.54768

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5OS/c1-13(2)15-7-9-16(10-8-15)27-25-18-11-14(3)17(12-19(18)26-27)23-21(29)24-20(28)22(4,5)6/h7-13H,1-6H3,(H2,23,24,28,29)