N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C22H16ClN5O3S MolecularWeight: 465.91214

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3Cl)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3Cl)C5=CC=CC=C5

InChI

InChI=1S/C22H16ClN5O3S/c23-15-11-17-18(27-28(26-17)14-4-2-1-3-5-14)12-16(15)24-22(32)25-21(29)13-6-7-19-20(10-13)31-9-8-30-19/h1-7,10-12H,8-9H2,(H2,24,25,29,32)