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

Systemtic Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-(4-acetamidophenyl)-2-thiazolyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O4S/c1-14(28)23-17-7-4-15(5-8-17)18-13-32-22(24-18)25-21(29)16-6-9-19(20(12-16)27(30)31)26-10-2-3-11-26/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,28)(H,24,25,29)