N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[[6-methyl-2-(4-propan-2-ylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(6-methyl-2-p-cumenyl-benzotriazol-5-yl)thiocarbamoyl]-piperonylamide Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)C(C)C

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)C(C)C

InChI

InChI=1S/C25H23N5O3S/c1-14(2)16-4-7-18(8-5-16)30-28-20-10-15(3)19(12-21(20)29-30)26-25(34)27-24(31)17-6-9-22-23(11-17)33-13-32-22/h4-12,14H,13H2,1-3H3,(H2,26,27,31,34)