N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C(=C(S3)C)C)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C(=C(S3)C)C)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3S/c1-12-6-8-23(9-7-12)17-5-4-15(10-18(17)24(26)27)19(25)22-20-16(11-21)13(2)14(3)28-20/h4-5,10,12H,6-9H2,1-3H3,(H,22,25)