N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-3-propan-2-yloxy-benzamide

Systemtic Name: N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-3-propan-2-yloxy-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-3-isopropoxy-benzamide CAS Name: N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-3-propan-2-yloxybenzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-3-isopropoxy-benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

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