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

Systemtic Name: N-[[5-azanyl-3-(4-bromophenyl)-4-cyano-2,3-dihydrothiophen-2-yl]carbonyl]piperidine-1-carboxamide Openeye Name: N-[5-amino-3-(4-bromophenyl)-4-cyano-2,3-dihydrothiophene-2-carbonyl]piperidine-1-carboxamide CAS Name: N-[[5-amino-3-(4-bromophenyl)-4-cyano-2,3-dihydrothiophen-2-yl]-oxomethyl]-1-piperidinecarboxamide IUPAC Name: N-[5-amino-3-(4-bromophenyl)-4-cyano-2,3-dihydrothiophene-2-carbonyl]piperidine-1-carboxamide Traditional Name: N-[5-amino-3-(4-bromophenyl)-4-cyano-2,3-dihydrothiophene-2-carbonyl]piperidine-1-carboxamide Formula: C18H19BrN4O2S MolecularWeight: 435.33806

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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=C(C=C3)Br

Isomeric SMILES

C1CCN(CC1)C(=O)NC(=O)C2C(C(=C(S2)N)C#N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H19BrN4O2S/c19-12-6-4-11(5-7-12)14-13(10-20)16(21)26-15(14)17(24)22-18(25)23-8-2-1-3-9-23/h4-7,14-15H,1-3,8-9,21H2,(H,22,24,25)