2-pentoxy-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide

Systemtic Name: 2-pentoxy-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 2-pentoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide CAS Name: 2-pentoxy-N-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 2-pentoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Traditional Name: 2-amoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S/c1-2-3-9-18-28-21-13-8-7-12-20(21)22(27)24-23(29)26-16-14-25(15-17-26)19-10-5-4-6-11-19/h4-8,10-13H,2-3,9,14-18H2,1H3,(H,24,27,29)