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

Systemtic Name: N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[[2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]-piperonylamide Formula: C22H17N5O3S MolecularWeight: 431.46708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O3S/c1-13-2-6-16(7-3-13)27-25-17-8-5-15(11-18(17)26-27)23-22(31)24-21(28)14-4-9-19-20(10-14)30-12-29-19/h2-11H,12H2,1H3,(H2,23,24,28,31)