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

Systemtic Name: 3,6-bis(chloranyl)-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[[2-(4-ethoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(2-p-phenetylbenzotriazol-5-yl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C24H17Cl2N5O2S2 MolecularWeight: 542.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C24H17Cl2N5O2S2/c1-2-33-16-7-5-15(6-8-16)31-29-18-10-4-14(12-19(18)30-31)27-24(34)28-23(32)22-21(26)17-9-3-13(25)11-20(17)35-22/h3-12H,2H2,1H3,(H2,27,28,32,34)