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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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