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

Systemtic Name: 4-ethoxy-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-4-ethoxy-benzamide CAS Name: 4-ethoxy-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-4-ethoxybenzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-4-ethoxy-benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-2-26-19-10-8-18(9-11-19)20(25)22-21(27)24-14-12-23(13-15-24)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,22,25,27)