2-[[(3,5-dinitrophenyl)carbonyl-propan-2-yl-amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(3,5-dinitrophenyl)carbonyl-propan-2-yl-amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(3,5-dinitrobenzoyl)-isopropyl-amino]methyl]-N-isopropyl-thiazole-4-carboxamide CAS Name: 2-[[[(3,5-dinitrophenyl)-oxomethyl]-propan-2-ylamino]methyl]-N-propan-2-yl-4-thiazolecarboxamide IUPAC Name: 2-[[(3,5-dinitrobenzoyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(3,5-dinitrobenzoyl)-isopropyl-amino]methyl]-N-isopropyl-thiazole-4-carboxamide Formula: C18H21N5O6S MolecularWeight: 435.45424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O6S/c1-10(2)19-17(24)15-9-30-16(20-15)8-21(11(3)4)18(25)12-5-13(22(26)27)7-14(6-12)23(28)29/h5-7,9-11H,8H2,1-4H3,(H,19,24)