N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-(methylsulfanylmethyl)benzamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-(methylsulfanylmethyl)benzamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-(methylsulfanylmethyl)benzamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-4-[(methylthio)methyl]benzamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-(methylsulfanylmethyl)benzamide Traditional Name: N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-4-[(methylthio)methyl]benzamide Formula: C22H29N3OS MolecularWeight: 383.55016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC)C

InChI

InChI=1S/C22H29N3OS/c1-4-24-11-13-25(14-12-24)20-9-10-21(17(2)15-20)23-22(26)19-7-5-18(6-8-19)16-27-3/h5-10,15H,4,11-14,16H2,1-3H3,(H,23,26)