1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoyl]piperidine-4-carboxamide CAS Name: 1-[[4-[(4-methyl-2-thiazolyl)thio]-3-nitrophenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoyl]piperidine-4-carboxamide Traditional Name: 1-[4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoyl]isonipecotamide Formula: C17H18N4O4S2 MolecularWeight: 406.47922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4S2/c1-10-9-26-17(19-10)27-14-3-2-12(8-13(14)21(24)25)16(23)20-6-4-11(5-7-20)15(18)22/h2-3,8-9,11H,4-7H2,1H3,(H2,18,22)