N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-3-propoxy-benzamide

Systemtic Name: N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-3-propoxy-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-3-propoxy-benzamide CAS Name: N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-3-propoxybenzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-3-propoxy-benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-2-15-27-20-10-6-9-19(16-20)21(26)23-22(28)25-13-11-24(12-14-25)17-18-7-4-3-5-8-18/h3-10,16H,2,11-15,17H2,1H3,(H,23,26,28)