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

Systemtic Name: 3-chloranyl-N-[4-(2-hydroxyphenyl)piperazin-1-yl]carbothioyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-(2-hydroxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]benzothiophene-2-carboxamide Formula: C20H18ClN3O2S2 MolecularWeight: 431.95882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2O)C(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2O)C(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H18ClN3O2S2/c21-17-13-5-1-4-8-16(13)28-18(17)19(26)22-20(27)24-11-9-23(10-12-24)14-6-2-3-7-15(14)25/h1-8,25H,9-12H2,(H,22,26,27)