N-(3-cyano-4-methyl-5-piperidin-1-ylcarbonyl-thiophen-2-yl)-4-methyl-3-nitro-benzamide

Systemtic Name: N-(3-cyano-4-methyl-5-piperidin-1-ylcarbonyl-thiophen-2-yl)-4-methyl-3-nitro-benzamide Openeye Name: N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)-2-thienyl]-4-methyl-3-nitro-benzamide CAS Name: N-[3-cyano-4-methyl-5-[oxo(1-piperidinyl)methyl]-2-thiophenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)-2-thienyl]-4-methyl-3-nitro-benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)N3CCCCC3)C)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)N3CCCCC3)C)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c1-12-6-7-14(10-16(12)24(27)28)18(25)22-19-15(11-21)13(2)17(29-19)20(26)23-8-4-3-5-9-23/h6-7,10H,3-5,8-9H2,1-2H3,(H,22,25)