N-[5-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methyl]thiophen-2-yl]benzamide

Systemtic Name: N-[5-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methyl]thiophen-2-yl]benzamide Openeye Name: N-[5-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methyl]-2-thienyl]benzamide CAS Name: N-[5-ethyl-3-[[4-(2-hydroxyethyl)-1-piperazinyl]-[4-(methylthio)phenyl]methyl]-2-thiophenyl]benzamide IUPAC Name: N-[5-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methyl]thiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-[[4-(2-hydroxyethyl)piperazino]-[4-(methylthio)phenyl]methyl]-2-thienyl]benzamide Formula: C27H33N3O2S2 MolecularWeight: 495.69982

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=C(C=C3)SC)N4CCN(CC4)CCO

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=C(C=C3)SC)N4CCN(CC4)CCO

InChI

InChI=1S/C27H33N3O2S2/c1-3-22-19-24(27(34-22)28-26(32)21-7-5-4-6-8-21)25(20-9-11-23(33-2)12-10-20)30-15-13-29(14-16-30)17-18-31/h4-12,19,25,31H,3,13-18H2,1-2H3,(H,28,32)