1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoyl]-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[[4-[(4-methyl-2-thiazolyl)thio]-3-nitrophenyl]-oxomethyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoyl]-N-(3-pyridylmethyl)isonipecotamide Formula: C23H23N5O4S2 MolecularWeight: 497.58982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NCC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NCC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O4S2/c1-15-14-33-23(26-15)34-20-5-4-18(11-19(20)28(31)32)22(30)27-9-6-17(7-10-27)21(29)25-13-16-3-2-8-24-12-16/h2-5,8,11-12,14,17H,6-7,9-10,13H2,1H3,(H,25,29)