3-(2-methylpropoxy)-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide

Systemtic Name: 3-(2-methylpropoxy)-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 3-isobutoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide CAS Name: 3-(2-methylpropoxy)-N-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 3-(2-methylpropoxy)-N-(4-phenylpiperazine-1-carbothioyl)benzamide Traditional Name: 3-isobutoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-17(2)16-27-20-10-6-7-18(15-20)21(26)23-22(28)25-13-11-24(12-14-25)19-8-4-3-5-9-19/h3-10,15,17H,11-14,16H2,1-2H3,(H,23,26,28)