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

Systemtic Name: N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]-piperonylamide Formula: C23H19N5O3S MolecularWeight: 445.49366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C23H19N5O3S/c1-13-3-6-16(7-4-13)28-26-18-9-14(2)17(11-19(18)27-28)24-23(32)25-22(29)15-5-8-20-21(10-15)31-12-30-20/h3-11H,12H2,1-2H3,(H2,24,25,29,32)