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

Systemtic Name: 3-bromanyl-4-hexoxy-N-(4-methylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 3-bromo-4-hexoxy-N-(4-methylpiperazine-1-carbothioyl)benzamide CAS Name: 3-bromo-4-hexoxy-N-[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-(4-methylpiperazine-1-carbothioyl)benzamide Traditional Name: 3-bromo-4-hexoxy-N-(4-methylpiperazine-1-carbothioyl)benzamide Formula: C19H28BrN3O2S MolecularWeight: 442.41352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28BrN3O2S/c1-3-4-5-6-13-25-17-8-7-15(14-16(17)20)18(24)21-19(26)23-11-9-22(2)10-12-23/h7-8,14H,3-6,9-13H2,1-2H3,(H,21,24,26)