3,6-bis(chloranyl)-N-[(4-piperidin-1-ylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[(4-piperidin-1-ylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[[4-(1-piperidyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(4-piperidin-1-ylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(4-piperidinophenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H19Cl2N3OS2 MolecularWeight: 464.43106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H19Cl2N3OS2/c22-13-4-9-16-17(12-13)29-19(18(16)23)20(27)25-21(28)24-14-5-7-15(8-6-14)26-10-2-1-3-11-26/h4-9,12H,1-3,10-11H2,(H2,24,25,27,28)