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

Systemtic Name: N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[[6-methyl-2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]-piperonylamide Formula: C26H19N5O3S MolecularWeight: 481.52576

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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=CC6=CC=CC=C65

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C26H19N5O3S/c1-15-11-20-21(30-31(29-20)22-8-4-6-16-5-2-3-7-18(16)22)13-19(15)27-26(35)28-25(32)17-9-10-23-24(12-17)34-14-33-23/h2-13H,14H2,1H3,(H2,27,28,32,35)