N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[[2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]-piperonylamide Formula: C25H17N5O3S MolecularWeight: 467.49918

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C25H17N5O3S/c31-24(16-8-11-22-23(12-16)33-14-32-22)27-25(34)26-17-9-10-19-20(13-17)29-30(28-19)21-7-3-5-15-4-1-2-6-18(15)21/h1-13H,14H2,(H2,26,27,31,34)