3-chloranyl-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-(1-piperidylmethyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-(1-piperidinylmethyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-(piperidinomethyl)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C22H22ClN3OS2 MolecularWeight: 444.01258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H22ClN3OS2/c23-19-17-6-2-3-7-18(17)29-20(19)21(27)25-22(28)24-16-10-8-15(9-11-16)14-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-14H2,(H2,24,25,27,28)