N-[2-(3,5-dimethylpiperidin-1-yl)carbonylphenyl]-5-methyl-4-nitro-thiophene-2-carboxamide

Systemtic Name: N-[2-(3,5-dimethylpiperidin-1-yl)carbonylphenyl]-5-methyl-4-nitro-thiophene-2-carboxamide Openeye Name: N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-methyl-4-nitro-thiophene-2-carboxamide CAS Name: N-[2-[(3,5-dimethyl-1-piperidinyl)-oxomethyl]phenyl]-5-methyl-4-nitro-2-thiophenecarboxamide IUPAC Name: N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-methyl-4-nitrothiophene-2-carboxamide Traditional Name: N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-methyl-4-nitro-thiophene-2-carboxamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC=CC=C2NC(=O)C3=CC(=C(S3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2=CC=CC=C2NC(=O)C3=CC(=C(S3)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N3O4S/c1-12-8-13(2)11-22(10-12)20(25)15-6-4-5-7-16(15)21-19(24)18-9-17(23(26)27)14(3)28-18/h4-7,9,12-13H,8,10-11H2,1-3H3,(H,21,24)