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

Systemtic Name: 3-bromanyl-N-(4-phenylpiperazin-1-yl)carbothioyl-4-propoxy-benzamide Openeye Name: 3-bromo-N-(4-phenylpiperazine-1-carbothioyl)-4-propoxy-benzamide CAS Name: 3-bromo-N-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-(4-phenylpiperazine-1-carbothioyl)-4-propoxybenzamide Traditional Name: 3-bromo-N-(4-phenylpiperazine-1-carbothioyl)-4-propoxy-benzamide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3)Br

InChI

InChI=1S/C21H24BrN3O2S/c1-2-14-27-19-9-8-16(15-18(19)22)20(26)23-21(28)25-12-10-24(11-13-25)17-6-4-3-5-7-17/h3-9,15H,2,10-14H2,1H3,(H,23,26,28)