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

Systemtic Name: 5-bromanyl-2-(2-methylpropoxy)-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 5-bromo-2-isobutoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide CAS Name: 5-bromo-2-(2-methylpropoxy)-N-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methylpropoxy)-N-(4-phenylpiperazine-1-carbothioyl)benzamide Traditional Name: 5-bromo-2-isobutoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Formula: C22H26BrN3O2S MolecularWeight: 476.42974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H26BrN3O2S/c1-16(2)15-28-20-9-8-17(23)14-19(20)21(27)24-22(29)26-12-10-25(11-13-26)18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,27,29)