3-chloranyl-N-(4-pyridin-2-ylpiperazin-1-yl)carbothioyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(4-pyridin-2-ylpiperazin-1-yl)carbothioyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(2-pyridyl)piperazine-1-carbothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-(2-pyridinyl)-1-piperazinyl]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(4-pyridin-2-ylpiperazine-1-carbothioyl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(2-pyridyl)piperazine-1-carbothioyl]benzothiophene-2-carboxamide Formula: C19H17ClN4OS2 MolecularWeight: 416.94748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H17ClN4OS2/c20-16-13-5-1-2-6-14(13)27-17(16)18(25)22-19(26)24-11-9-23(10-12-24)15-7-3-4-8-21-15/h1-8H,9-12H2,(H,22,25,26)