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

Systemtic Name: N-[3-cyano-4-methyl-5-[4-(phenylmethyl)piperazin-1-yl]thiophen-2-yl]-2-ethyl-butanamide Openeye Name: N-[5-(4-benzylpiperazin-1-yl)-3-cyano-4-methyl-2-thienyl]-2-ethyl-butanamide CAS Name: N-[3-cyano-4-methyl-5-[4-(phenylmethyl)-1-piperazinyl]-2-thiophenyl]-2-ethylbutanamide IUPAC Name: N-[5-(4-benzylpiperazin-1-yl)-3-cyano-4-methylthiophen-2-yl]-2-ethylbutanamide Traditional Name: N-[5-(4-benzylpiperazino)-3-cyano-4-methyl-2-thienyl]-2-ethyl-butyramide Formula: C23H30N4OS MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4OS/c1-4-19(5-2)21(28)25-22-20(15-24)17(3)23(29-22)27-13-11-26(12-14-27)16-18-9-7-6-8-10-18/h6-10,19H,4-5,11-14,16H2,1-3H3,(H,25,28)