N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(4,5-dihydrothiazol-2-yl)-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-(4,5-dihydrothiazol-2-yl)-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-N-(2-thiazolin-2-yl)benzamide Formula: C16H20N4O3S MolecularWeight: 348.42

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NCCS3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NCCS3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O3S/c1-11-3-2-7-19(10-11)13-5-4-12(9-14(13)20(22)23)15(21)18-16-17-6-8-24-16/h4-5,9,11H,2-3,6-8,10H2,1H3,(H,17,18,21)/t11-/m0/s1