3-chloranyl-N-[(2-piperidin-1-ylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2-piperidin-1-ylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[2-(1-piperidyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2-piperidin-1-ylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2-piperidinophenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H20ClN3OS2 MolecularWeight: 429.986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H20ClN3OS2/c22-18-14-8-2-5-11-17(14)28-19(18)20(26)24-21(27)23-15-9-3-4-10-16(15)25-12-6-1-7-13-25/h2-5,8-11H,1,6-7,12-13H2,(H2,23,24,26,27)