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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H17N5O3S/c1-13-9-17-18(26-27(25-17)15-5-3-2-4-6-15)11-16(13)23-22(31)24-21(28)14-7-8-19-20(10-14)30-12-29-19/h2-11H,12H2,1H3,(H2,23,24,28,31)