N-(3-cyanothiophen-2-yl)-3-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[4-[2-(4-methylanilino)-2-oxo-ethyl]piperazin-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-[2-(4-methylanilino)-2-oxoethyl]-1-piperazinyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[4-[2-keto-2-(p-toluidino)ethyl]piperazino]propionamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C21H25N5O2S/c1-16-2-4-18(5-3-16)23-20(28)15-26-11-9-25(10-12-26)8-6-19(27)24-21-17(14-22)7-13-29-21/h2-5,7,13H,6,8-12,15H2,1H3,(H,23,28)(H,24,27)