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

Systemtic Name: 3,5-dimethoxy-N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 3,5-dimethoxy-N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 3,5-dimethoxy-N-[[[6-methyl-2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 3,5-dimethoxy-N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C27H23N5O3S MolecularWeight: 497.56822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N5O3S/c1-16-11-23-24(31-32(30-23)25-10-6-8-17-7-4-5-9-21(17)25)15-22(16)28-27(36)29-26(33)18-12-19(34-2)14-20(13-18)35-3/h4-15H,1-3H3,(H2,28,29,33,36)