3-chloranyl-N-[(4-phenoxyphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(4-phenoxyphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(4-phenoxyphenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(4-phenoxyanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(4-phenoxyphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(4-phenoxyphenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C22H15ClN2O2S2 MolecularWeight: 438.9497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H15ClN2O2S2/c23-19-17-8-4-5-9-18(17)29-20(19)21(26)25-22(28)24-14-10-12-16(13-11-14)27-15-6-2-1-3-7-15/h1-13H,(H2,24,25,26,28)