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

Systemtic Name: 3-butoxy-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 3-butoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide CAS Name: 3-butoxy-N-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Traditional Name: 3-butoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-2-3-16-27-20-11-7-8-18(17-20)21(26)23-22(28)25-14-12-24(13-15-25)19-9-5-4-6-10-19/h4-11,17H,2-3,12-16H2,1H3,(H,23,26,28)