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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3

InChI

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