2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]ethanamide

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]ethanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]acetamide CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]acetamide IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-[2-(4-methylpiperazino)-2-(3-thienyl)ethyl]acetamide Formula: C21H28ClN3O2S MolecularWeight: 421.98392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NCC(C2=CSC=C2)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NCC(C2=CSC=C2)N3CCN(CC3)C

InChI

InChI=1S/C21H28ClN3O2S/c1-15-10-18(11-16(2)21(15)22)27-13-20(26)23-12-19(17-4-9-28-14-17)25-7-5-24(3)6-8-25/h4,9-11,14,19H,5-8,12-13H2,1-3H3,(H,23,26)