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

Systemtic Name: N-(3-cyano-4-methyl-5-piperidin-1-ylcarbonyl-thiophen-2-yl)-3-nitro-benzamide Openeye Name: N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)-2-thienyl]-3-nitro-benzamide CAS Name: N-[3-cyano-4-methyl-5-[oxo(1-piperidinyl)methyl]-2-thiophenyl]-3-nitrobenzamide IUPAC Name: N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3-nitrobenzamide Traditional Name: N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)-2-thienyl]-3-nitro-benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N3CCCCC3

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N3CCCCC3

InChI

InChI=1S/C19H18N4O4S/c1-12-15(11-20)18(28-16(12)19(25)22-8-3-2-4-9-22)21-17(24)13-6-5-7-14(10-13)23(26)27/h5-7,10H,2-4,8-9H2,1H3,(H,21,24)