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

Systemtic Name: 3,6-bis(chloranyl)-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[[2-(4-methoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C23H15Cl2N5O2S2 MolecularWeight: 528.4335

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

InChI

InChI=1S/C23H15Cl2N5O2S2/c1-32-15-6-4-14(5-7-15)30-28-17-9-3-13(11-18(17)29-30)26-23(33)27-22(31)21-20(25)16-8-2-12(24)10-19(16)34-21/h2-11H,1H3,(H2,26,27,31,33)