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

Systemtic Name: N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(2-methylthiazol-4-yl)phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[4-(2-methyl-4-thiazolyl)phenyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(2-methylthiazol-4-yl)phenyl]-5-nitro-2-pyrrolidino-benzamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3S/c1-14-22-19(13-29-14)15-4-6-16(7-5-15)23-21(26)18-12-17(25(27)28)8-9-20(18)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,26)