3-chloranyl-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-1-benzothiophene-2-carboxamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-3-chloro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-3-chloro-benzothiophene-2-carboxamide Formula: C21H20ClN3OS2 MolecularWeight: 429.986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H20ClN3OS2/c22-18-16-8-4-5-9-17(16)28-19(18)20(26)23-21(27)25-12-10-24(11-13-25)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,23,26,27)