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

Systemtic Name: 4-heptoxy-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 4-heptoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide CAS Name: 4-heptoxy-N-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Traditional Name: 4-heptoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C25H33N3O2S/c1-2-3-4-5-9-20-30-23-14-12-21(13-15-23)24(29)26-25(31)28-18-16-27(17-19-28)22-10-7-6-8-11-22/h6-8,10-15H,2-5,9,16-20H2,1H3,(H,26,29,31)