N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxy-benzamide

Systemtic Name: N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: 3-isopropoxy-N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: 3-isopropoxy-N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC(=CC=C4)OC(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC(=CC=C4)OC(C)C)C

InChI

InChI=1S/C25H25N5O2S/c1-15(2)32-20-7-5-6-18(13-20)24(31)27-25(33)26-21-14-23-22(12-17(21)4)28-30(29-23)19-10-8-16(3)9-11-19/h5-15H,1-4H3,(H2,26,27,31,33)