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

Systemtic Name: N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]-piperonylamide Formula: C21H15N5O3S MolecularWeight: 417.4405

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C21H15N5O3S/c27-20(13-6-9-18-19(10-13)29-12-28-18)23-21(30)22-14-7-8-16-17(11-14)25-26(24-16)15-4-2-1-3-5-15/h1-11H,12H2,(H2,22,23,27,30)