N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-piperonylamide Formula: C21H14ClN5O3S MolecularWeight: 451.88556

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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=C3Cl)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3Cl)C5=CC=CC=C5

InChI

InChI=1S/C21H14ClN5O3S/c22-14-9-16-17(26-27(25-16)13-4-2-1-3-5-13)10-15(14)23-21(31)24-20(28)12-6-7-18-19(8-12)30-11-29-18/h1-10H,11H2,(H2,23,24,28,31)