N-(4-tert-butyl-1,3-thiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(4-tert-butyl-1,3-thiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(4-tert-butylthiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(4-tert-butyl-2-thiazolyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(4-tert-butyl-1,3-thiazol-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(4-tert-butylthiazol-2-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C18H22N4O3S MolecularWeight: 374.45728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3S/c1-18(2,3)15-11-26-17(19-15)20-16(23)12-6-7-13(14(10-12)22(24)25)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,20,23)