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

Systemtic Name: 3-bromanyl-N-(4-methylpiperazin-1-yl)carbothioyl-4-propoxy-benzamide Openeye Name: 3-bromo-N-(4-methylpiperazine-1-carbothioyl)-4-propoxy-benzamide CAS Name: 3-bromo-N-[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-(4-methylpiperazine-1-carbothioyl)-4-propoxybenzamide Traditional Name: 3-bromo-N-(4-methylpiperazine-1-carbothioyl)-4-propoxy-benzamide Formula: C16H22BrN3O2S MolecularWeight: 400.33378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C)Br

InChI

InChI=1S/C16H22BrN3O2S/c1-3-10-22-14-5-4-12(11-13(14)17)15(21)18-16(23)20-8-6-19(2)7-9-20/h4-5,11H,3,6-10H2,1-2H3,(H,18,21,23)