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

Systemtic Name: 2-[[(4-nitrophenyl)carbamoyl-propan-2-yl-amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide Openeye Name: N-isopropyl-2-[[isopropyl-[(4-nitrophenyl)carbamoyl]amino]methyl]thiazole-4-carboxamide CAS Name: 2-[[[(4-nitroanilino)-oxomethyl]-propan-2-ylamino]methyl]-N-propan-2-yl-4-thiazolecarboxamide IUPAC Name: 2-[[(4-nitrophenyl)carbamoyl-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide Traditional Name: N-isopropyl-2-[[isopropyl-[(4-nitrophenyl)carbamoyl]amino]methyl]thiazole-4-carboxamide Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O4S/c1-11(2)19-17(24)15-10-28-16(21-15)9-22(12(3)4)18(25)20-13-5-7-14(8-6-13)23(26)27/h5-8,10-12H,9H2,1-4H3,(H,19,24)(H,20,25)