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

Systemtic Name: N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C22H17N5O3S MolecularWeight: 431.46708

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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=C3)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C22H17N5O3S/c28-21(14-6-9-19-20(12-14)30-11-10-29-19)24-22(31)23-15-7-8-17-18(13-15)26-27(25-17)16-4-2-1-3-5-16/h1-9,12-13H,10-11H2,(H2,23,24,28,31)