N-(3-methylsulfanylpropyl)-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-(3-methylsulfanylpropyl)-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methylsulfanylpropyl)oxazole-4-carboxamide CAS Name: N-[3-(methylthio)propyl]-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-4-oxazolecarboxamide IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methylsulfanylpropyl)-1,3-oxazole-4-carboxamide Traditional Name: 2-[(4-benzylpiperazino)methyl]-N-[3-(methylthio)propyl]oxazole-4-carboxamide Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=O)C1=COC(=N1)CN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CSCCCNC(=O)C1=COC(=N1)CN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O2S/c1-27-13-5-8-21-20(25)18-16-26-19(22-18)15-24-11-9-23(10-12-24)14-17-6-3-2-4-7-17/h2-4,6-7,16H,5,8-15H2,1H3,(H,21,25)