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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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