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

Systemtic Name: 3,6-bis(chloranyl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[[2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[[2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[[2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C23H15Cl2N5OS2 MolecularWeight: 512.4341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C23H15Cl2N5OS2/c1-12-2-6-15(7-3-12)30-28-17-9-5-14(11-18(17)29-30)26-23(32)27-22(31)21-20(25)16-8-4-13(24)10-19(16)33-21/h2-11H,1H3,(H2,26,27,31,32)