5-bromanyl-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-2-propoxy-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-propoxy-benzamide CAS Name: 5-bromo-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-propoxybenzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-propoxy-benzamide Formula: C22H26BrN3O2S MolecularWeight: 476.42974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26BrN3O2S/c1-2-14-28-20-9-8-18(23)15-19(20)21(27)24-22(29)26-12-10-25(11-13-26)16-17-6-4-3-5-7-17/h3-9,15H,2,10-14,16H2,1H3,(H,24,27,29)