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

Systemtic Name: 5-bromanyl-2-ethoxy-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 5-bromo-2-ethoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide CAS Name: 5-bromo-2-ethoxy-N-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Traditional Name: 5-bromo-2-ethoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H22BrN3O2S/c1-2-26-18-9-8-15(21)14-17(18)19(25)22-20(27)24-12-10-23(11-13-24)16-6-4-3-5-7-16/h3-9,14H,2,10-13H2,1H3,(H,22,25,27)