4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(2-piperidin-1-ylcarbonylphenyl)benzamide

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(2-piperidin-1-ylcarbonylphenyl)benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[2-[oxo(1-piperidinyl)methyl]phenyl]benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide Formula: C22H22N6O4S MolecularWeight: 466.51288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O4S/c1-26-14-23-25-22(26)33-19-10-9-15(13-18(19)28(31)32)20(29)24-17-8-4-3-7-16(17)21(30)27-11-5-2-6-12-27/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,24,29)