N-[[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[[2-(4-ethylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=C(C=CC=C4OC)OC)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=C(C=CC=C4OC)OC)C

InChI

InChI=1S/C25H25N5O3S/c1-5-16-9-11-17(12-10-16)30-28-19-13-15(2)18(14-20(19)29-30)26-25(34)27-24(31)23-21(32-3)7-6-8-22(23)33-4/h6-14H,5H2,1-4H3,(H2,26,27,31,34)