2-(3,4-dimethylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]ethanamide

Systemtic Name: 2-(3,4-dimethylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]ethanamide Openeye Name: 2-(3,4-dimethylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]acetamide CAS Name: 2-(3,4-dimethylphenoxy)-N-[2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]acetamide IUPAC Name: 2-(3,4-dimethylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide Traditional Name: 2-(3,4-dimethylphenoxy)-N-[2-(4-methylpiperazino)-2-(3-thienyl)ethyl]acetamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)NCC(C2=CSC=C2)N3CCN(CC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)NCC(C2=CSC=C2)N3CCN(CC3)C)C

InChI

InChI=1S/C21H29N3O2S/c1-16-4-5-19(12-17(16)2)26-14-21(25)22-13-20(18-6-11-27-15-18)24-9-7-23(3)8-10-24/h4-6,11-12,15,20H,7-10,13-14H2,1-3H3,(H,22,25)