N-[[5-azanyl-4-cyano-3-(3-nitrophenyl)-2,3-dihydrothiophen-2-yl]carbonyl]piperidine-1-carboxamide

Systemtic Name: N-[[5-azanyl-4-cyano-3-(3-nitrophenyl)-2,3-dihydrothiophen-2-yl]carbonyl]piperidine-1-carboxamide Openeye Name: N-[5-amino-4-cyano-3-(3-nitrophenyl)-2,3-dihydrothiophene-2-carbonyl]piperidine-1-carboxamide CAS Name: N-[[5-amino-4-cyano-3-(3-nitrophenyl)-2,3-dihydrothiophen-2-yl]-oxomethyl]-1-piperidinecarboxamide IUPAC Name: N-[5-amino-4-cyano-3-(3-nitrophenyl)-2,3-dihydrothiophene-2-carbonyl]piperidine-1-carboxamide Traditional Name: N-[5-amino-4-cyano-3-(3-nitrophenyl)-2,3-dihydrothiophene-2-carbonyl]piperidine-1-carboxamide Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)NC(=O)C2C(C(=C(S2)N)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)NC(=O)C2C(C(=C(S2)N)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O4S/c19-10-13-14(11-5-4-6-12(9-11)23(26)27)15(28-16(13)20)17(24)21-18(25)22-7-2-1-3-8-22/h4-6,9,14-15H,1-3,7-8,20H2,(H,21,24,25)