3-chloranyl-N-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]benzothiophene-2-carboxamide Formula: C19H18ClN5O2S MolecularWeight: 415.89652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN5O2S/c20-16-13-4-1-2-5-14(13)28-17(16)18(27)23-12-15(26)24-8-10-25(11-9-24)19-21-6-3-7-22-19/h1-7H,8-12H2,(H,23,27)