N-[[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-phenylmethoxy-benzamide

Systemtic Name: N-[[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[6-chloro-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C28H22ClN5O2S MolecularWeight: 528.02458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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