5-bromanyl-2-chloranyl-N-[4-(4-hydroxyphenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[4-(4-hydroxyphenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 5-bromo-2-chloro-N-[4-(4-hydroxyphenyl)piperazine-1-carbothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[4-(4-hydroxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[4-(4-hydroxyphenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[4-(4-hydroxyphenyl)piperazine-1-carbothioyl]benzamide Formula: C18H17BrClN3O2S MolecularWeight: 454.76848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)O)C(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)O)C(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl

InChI

InChI=1S/C18H17BrClN3O2S/c19-12-1-6-16(20)15(11-12)17(25)21-18(26)23-9-7-22(8-10-23)13-2-4-14(24)5-3-13/h1-6,11,24H,7-10H2,(H,21,25,26)