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

Systemtic Name: 3-bromanyl-4-butoxy-N-(4-methylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 3-bromo-4-butoxy-N-(4-methylpiperazine-1-carbothioyl)benzamide CAS Name: 3-bromo-4-butoxy-N-[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-(4-methylpiperazine-1-carbothioyl)benzamide Traditional Name: 3-bromo-4-butoxy-N-(4-methylpiperazine-1-carbothioyl)benzamide Formula: C17H24BrN3O2S MolecularWeight: 414.36036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C)Br

InChI

InChI=1S/C17H24BrN3O2S/c1-3-4-11-23-15-6-5-13(12-14(15)18)16(22)19-17(24)21-9-7-20(2)8-10-21/h5-6,12H,3-4,7-11H2,1-2H3,(H,19,22,24)