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

Systemtic Name: 3-bromanyl-4-methoxy-N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[[[6-methyl-2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-methoxy-N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C26H20BrN5O2S MolecularWeight: 546.4383

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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)Br)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

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

InChI

InChI=1S/C26H20BrN5O2S/c1-15-12-21-22(31-32(30-21)23-9-5-7-16-6-3-4-8-18(16)23)14-20(15)28-26(35)29-25(33)17-10-11-24(34-2)19(27)13-17/h3-14H,1-2H3,(H2,28,29,33,35)