3-bromanyl-4-hexoxy-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 3-bromo-4-hexoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide CAS Name: 3-bromo-4-hexoxy-N-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Traditional Name: 3-bromo-4-hexoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Formula: C24H30BrN3O2S MolecularWeight: 504.4829

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3)Br

InChI

InChI=1S/C24H30BrN3O2S/c1-2-3-4-8-17-30-22-12-11-19(18-21(22)25)23(29)26-24(31)28-15-13-27(14-16-28)20-9-6-5-7-10-20/h5-7,9-12,18H,2-4,8,13-17H2,1H3,(H,26,29,31)