N-[[2-(3-chloranyl-4-methyl-phenyl)benzotriazol-5-yl]carbamothioyl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[[2-(3-chloranyl-4-methyl-phenyl)benzotriazol-5-yl]carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[2-(3-chloro-4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C28H22ClN5O2S MolecularWeight: 528.02458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)Cl

InChI

InChI=1S/C28H22ClN5O2S/c1-18-7-11-22(16-24(18)29)34-32-25-14-10-21(15-26(25)33-34)30-28(37)31-27(35)20-8-12-23(13-9-20)36-17-19-5-3-2-4-6-19/h2-16H,17H2,1H3,(H2,30,31,35,37)