3,4,5-trimethoxy-N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[[[6-methyl-2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C28H25N5O4S MolecularWeight: 527.5942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H25N5O4S/c1-16-12-21-22(32-33(31-21)23-11-7-9-17-8-5-6-10-19(17)23)15-20(16)29-28(38)30-27(34)18-13-24(35-2)26(37-4)25(14-18)36-3/h5-15H,1-4H3,(H2,29,30,34,38)