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

Systemtic Name: 3-butoxy-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-3-butoxy-benzamide CAS Name: 3-butoxy-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-3-butoxybenzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-3-butoxy-benzamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S/c1-2-3-16-28-21-11-7-10-20(17-21)22(27)24-23(29)26-14-12-25(13-15-26)18-19-8-5-4-6-9-19/h4-11,17H,2-3,12-16,18H2,1H3,(H,24,27,29)