3,6-bis(chloranyl)-N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[[2-(4-ethoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(6-methyl-2-p-phenetyl-benzotriazol-5-yl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C25H19Cl2N5O2S2 MolecularWeight: 556.48666

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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(C5=C(S4)C=C(C=C5)Cl)Cl)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl)C

InChI

InChI=1S/C25H19Cl2N5O2S2/c1-3-34-16-7-5-15(6-8-16)32-30-19-10-13(2)18(12-20(19)31-32)28-25(35)29-24(33)23-22(27)17-9-4-14(26)11-21(17)36-23/h4-12H,3H2,1-2H3,(H2,28,29,33,35)