N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-thiophen-2-yl]-1-ethanoyl-piperidine-4-carboxamide

Systemtic Name: N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-thiophen-2-yl]-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thiophenyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]isonipecotamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2CCN(CC2)C(=O)C)C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2CCN(CC2)C(=O)C)C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23N3O3S/c1-13-19(15-4-6-17(27-3)7-5-15)18(12-22)21(28-13)23-20(26)16-8-10-24(11-9-16)14(2)25/h4-7,16H,8-11H2,1-3H3,(H,23,26)