4-methyl-3-nitro-N-[[1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]benzamide

Systemtic Name: 4-methyl-3-nitro-N-[[1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]benzamide Openeye Name: N-[[1-(3-benzyl-1,2,4-thiadiazol-5-yl)-4-piperidyl]methyl]-4-methyl-3-nitro-benzamide CAS Name: 4-methyl-3-nitro-N-[[1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-4-piperidinyl]methyl]benzamide IUPAC Name: N-[[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[[1-(3-benzyl-1,2,4-thiadiazol-5-yl)-4-piperidyl]methyl]-4-methyl-3-nitro-benzamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2CCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2CCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O3S/c1-16-7-8-19(14-20(16)28(30)31)22(29)24-15-18-9-11-27(12-10-18)23-25-21(26-32-23)13-17-5-3-2-4-6-17/h2-8,14,18H,9-13,15H2,1H3,(H,24,29)