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

Systemtic Name: 3-chloranyl-N-(4-pyrimidin-2-ylpiperazin-1-yl)carbothioyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(4-pyrimidin-2-ylpiperazine-1-carbothioyl)benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-(2-pyrimidinyl)-1-piperazinyl]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(4-pyrimidin-2-ylpiperazine-1-carbothioyl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(2-pyrimidyl)piperazine-1-carbothioyl]benzothiophene-2-carboxamide Formula: C18H16ClN5OS2 MolecularWeight: 417.93554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN5OS2/c19-14-12-4-1-2-5-13(12)27-15(14)16(25)22-18(26)24-10-8-23(9-11-24)17-20-6-3-7-21-17/h1-7H,8-11H2,(H,22,25,26)