3-chloranyl-N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[2-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[2-(1-phenylethylcarbamoyl)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C25H20ClN3O2S2 MolecularWeight: 494.0282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C25H20ClN3O2S2/c1-15(16-9-3-2-4-10-16)27-23(30)17-11-5-7-13-19(17)28-25(32)29-24(31)22-21(26)18-12-6-8-14-20(18)33-22/h2-15H,1H3,(H,27,30)(H2,28,29,31,32)