N-(2-ethylphenyl)-2-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(4-methoxyanilino)-sulfanylidenemethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[(4-methoxyphenyl)thiocarbamoyl]piperazino]acetamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N4O2S/c1-3-17-6-4-5-7-20(17)24-21(27)16-25-12-14-26(15-13-25)22(29)23-18-8-10-19(28-2)11-9-18/h4-11H,3,12-16H2,1-2H3,(H,23,29)(H,24,27)