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

Systemtic Name: 2-[[(4-nitrophenyl)carbonyl-propan-2-yl-amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide Openeye Name: N-isopropyl-2-[[isopropyl-(4-nitrobenzoyl)amino]methyl]thiazole-4-carboxamide CAS Name: 2-[[[(4-nitrophenyl)-oxomethyl]-propan-2-ylamino]methyl]-N-propan-2-yl-4-thiazolecarboxamide IUPAC Name: 2-[[(4-nitrobenzoyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide Traditional Name: N-isopropyl-2-[[isopropyl-(4-nitrobenzoyl)amino]methyl]thiazole-4-carboxamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S/c1-11(2)19-17(23)15-10-27-16(20-15)9-21(12(3)4)18(24)13-5-7-14(8-6-13)22(25)26/h5-8,10-12H,9H2,1-4H3,(H,19,23)