N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-2-naphthalen-2-ylsulfanyl-ethanamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-2-naphthalen-2-ylsulfanyl-ethanamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-2-(2-naphthylsulfanyl)acetamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-2-(2-naphthalenylthio)acetamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-naphthalen-2-ylsulfanylacetamide Traditional Name: N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-2-(2-naphthylthio)acetamide Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CSC3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CSC3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C25H29N3OS/c1-3-27-12-14-28(15-13-27)22-9-11-24(19(2)16-22)26-25(29)18-30-23-10-8-20-6-4-5-7-21(20)17-23/h4-11,16-17H,3,12-15,18H2,1-2H3,(H,26,29)