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

Systemtic Name: N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[5-(2-methylthiazol-4-yl)-2-furyl]methyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[5-(2-methyl-4-thiazolyl)-2-furanyl]methyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[5-(2-methylthiazol-4-yl)-2-furyl]methyl]-3-nitro-4-piperidino-benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(O2)CNC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(O2)CNC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c1-14-23-17(13-30-14)20-8-6-16(29-20)12-22-21(26)15-5-7-18(19(11-15)25(27)28)24-9-3-2-4-10-24/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,22,26)