N-[3-cyano-5-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-4-methyl-thiophen-2-yl]-2-ethyl-butanamide

Systemtic Name: N-[3-cyano-5-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-4-methyl-thiophen-2-yl]-2-ethyl-butanamide Openeye Name: N-[3-cyano-5-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-4-methyl-2-thienyl]-2-ethyl-butanamide CAS Name: N-[3-cyano-5-[4-[(2,4-dichlorophenyl)methyl]-1-piperazinyl]-4-methyl-2-thiophenyl]-2-ethylbutanamide IUPAC Name: N-[3-cyano-5-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-4-methylthiophen-2-yl]-2-ethylbutanamide Traditional Name: N-[3-cyano-5-[4-(2,4-dichlorobenzyl)piperazino]-4-methyl-2-thienyl]-2-ethyl-butyramide Formula: C23H28Cl2N4OS MolecularWeight: 479.46562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C(=C(S1)N2CCN(CC2)CC3=C(C=C(C=C3)Cl)Cl)C)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C(=C(S1)N2CCN(CC2)CC3=C(C=C(C=C3)Cl)Cl)C)C#N

InChI

InChI=1S/C23H28Cl2N4OS/c1-4-16(5-2)21(30)27-22-19(13-26)15(3)23(31-22)29-10-8-28(9-11-29)14-17-6-7-18(24)12-20(17)25/h6-7,12,16H,4-5,8-11,14H2,1-3H3,(H,27,30)