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

Systemtic Name: 3,6-bis(chloranyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C22H13Cl2N5OS2 MolecularWeight: 498.40752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C22H13Cl2N5OS2/c23-12-6-8-15-18(10-12)32-20(19(15)24)21(30)26-22(31)25-13-7-9-16-17(11-13)28-29(27-16)14-4-2-1-3-5-14/h1-11H,(H2,25,26,30,31)