N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[[2-(4-ethoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide Traditional Name: 3,4-dimethyl-N-[(6-methyl-2-p-phenetyl-benzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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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=CC(=C(C=C4)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O2S/c1-5-32-20-10-8-19(9-11-20)30-28-22-13-17(4)21(14-23(22)29-30)26-25(33)27-24(31)18-7-6-15(2)16(3)12-18/h6-14H,5H2,1-4H3,(H2,26,27,31,33)