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

Systemtic Name: N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[5-(2-methylthiazol-4-yl)-2-furyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[5-(2-methyl-4-thiazolyl)-2-furanyl]methyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[5-(2-methylthiazol-4-yl)-2-furyl]methyl]-3-nitro-4-pyrrolidino-benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(O2)CNC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(O2)CNC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c1-13-22-16(12-29-13)19-7-5-15(28-19)11-21-20(25)14-4-6-17(18(10-14)24(26)27)23-8-2-3-9-23/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,21,25)