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

Systemtic Name: N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,4-dimethoxy-benzamide Openeye Name: N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,4-dimethoxy-benzamide CAS Name: N-[[[2-(4-ethoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2,4-dimethoxybenzamide IUPAC Name: N-[[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2,4-dimethoxybenzamide Traditional Name: 2,4-dimethoxy-N-[(6-methyl-2-p-phenetyl-benzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C25H25N5O4S MolecularWeight: 491.5621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O4S/c1-5-34-17-8-6-16(7-9-17)30-28-21-12-15(2)20(14-22(21)29-30)26-25(35)27-24(31)19-11-10-18(32-3)13-23(19)33-4/h6-14H,5H2,1-4H3,(H2,26,27,31,35)