N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-nitro-benzamide

Systemtic Name: N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[4-[(3,5-dimethyl-1-piperidyl)methyl]thiazol-2-yl]-3-nitro-benzamide CAS Name: N-[4-[(3,5-dimethyl-1-piperidinyl)methyl]-2-thiazolyl]-3-nitrobenzamide IUPAC Name: N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[4-[(3,5-dimethylpiperidino)methyl]thiazol-2-yl]-3-nitro-benzamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CC2=CSC(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)CC2=CSC(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H22N4O3S/c1-12-6-13(2)9-21(8-12)10-15-11-26-18(19-15)20-17(23)14-4-3-5-16(7-14)22(24)25/h3-5,7,11-13H,6,8-10H2,1-2H3,(H,19,20,23)