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

Systemtic Name: N-[[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[[2-(4-ethylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-piperonylamide Formula: C24H21N5O3S MolecularWeight: 459.52024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C24H21N5O3S/c1-3-15-4-7-17(8-5-15)29-27-19-10-14(2)18(12-20(19)28-29)25-24(33)26-23(30)16-6-9-21-22(11-16)32-13-31-21/h4-12H,3,13H2,1-2H3,(H2,25,26,30,33)