5-bromanyl-2-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C21H16BrN5O2S MolecularWeight: 482.35304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC=C4

InChI

InChI=1S/C21H16BrN5O2S/c1-29-19-10-7-13(22)11-16(19)20(28)24-21(30)23-14-8-9-17-18(12-14)26-27(25-17)15-5-3-2-4-6-15/h2-12H,1H3,(H2,23,24,28,30)