5-bromanyl-2-phenethyloxy-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide

Systemtic Name: 5-bromanyl-2-phenethyloxy-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 5-bromo-2-phenethyloxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide CAS Name: 5-bromo-2-phenethyloxy-N-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-phenethyloxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Traditional Name: 5-bromo-2-phenethyloxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Formula: C26H26BrN3O2S MolecularWeight: 524.47254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

InChI=1S/C26H26BrN3O2S/c27-21-11-12-24(32-18-13-20-7-3-1-4-8-20)23(19-21)25(31)28-26(33)30-16-14-29(15-17-30)22-9-5-2-6-10-22/h1-12,19H,13-18H2,(H,28,31,33)