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

Systemtic Name: 2,6-dimethoxy-N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 2,6-dimethoxy-N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 2,6-dimethoxy-N-[[[6-methyl-2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,6-dimethoxy-N-[(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 2,6-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=C(C=CC=C3OC)OC)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=C(C=CC=C3OC)OC)C4=CC=CC5=CC=CC=C54

InChI

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