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

Systemtic Name: 5-bromanyl-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[[2-(4-ethoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-2-methoxy-3-methyl-N-[(2-p-phenetylbenzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C24H22BrN5O3S MolecularWeight: 540.43218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=CC(=C4OC)C)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=CC(=C4OC)C)Br

InChI

InChI=1S/C24H22BrN5O3S/c1-4-33-18-8-6-17(7-9-18)30-28-20-10-5-16(13-21(20)29-30)26-24(34)27-23(31)19-12-15(25)11-14(2)22(19)32-3/h5-13H,4H2,1-3H3,(H2,26,27,31,34)