3-bromanyl-4-butoxy-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 3-bromo-4-butoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide CAS Name: 3-bromo-4-butoxy-N-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Traditional Name: 3-bromo-4-butoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Formula: C22H26BrN3O2S MolecularWeight: 476.42974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3)Br

InChI

InChI=1S/C22H26BrN3O2S/c1-2-3-15-28-20-10-9-17(16-19(20)23)21(27)24-22(29)26-13-11-25(12-14-26)18-7-5-4-6-8-18/h4-10,16H,2-3,11-15H2,1H3,(H,24,27,29)