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

Systemtic Name: 3,4-bis(chloranyl)-N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 3,4-dichloro-N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 3,4-dichloro-N-[[[2-(4-ethoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dichloro-N-[[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 3,4-dichloro-N-[(6-methyl-2-p-phenetyl-benzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C23H19Cl2N5O2S MolecularWeight: 500.40026

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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)Cl)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C23H19Cl2N5O2S/c1-3-32-16-7-5-15(6-8-16)30-28-20-10-13(2)19(12-21(20)29-30)26-23(33)27-22(31)14-4-9-17(24)18(25)11-14/h4-12H,3H2,1-2H3,(H2,26,27,31,33)