2-methylsulfanyl-5-[(4-nitrophenyl)carbonylamino]-N-propyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-methylsulfanyl-5-[(4-nitrophenyl)carbonylamino]-N-propyl-1,3-thiazole-4-carboxamide Openeye Name: 2-methylsulfanyl-5-[(4-nitrobenzoyl)amino]-N-propyl-thiazole-4-carboxamide CAS Name: 2-(methylthio)-5-[[(4-nitrophenyl)-oxomethyl]amino]-N-propyl-4-thiazolecarboxamide IUPAC Name: 2-methylsulfanyl-5-[(4-nitrobenzoyl)amino]-N-propyl-1,3-thiazole-4-carboxamide Traditional Name: 2-(methylthio)-5-[(4-nitrobenzoyl)amino]-N-propyl-thiazole-4-carboxamide Formula: C15H16N4O4S2 MolecularWeight: 380.44194

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(SC(=N1)SC)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C1=C(SC(=N1)SC)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O4S2/c1-3-8-16-13(21)11-14(25-15(17-11)24-2)18-12(20)9-4-6-10(7-5-9)19(22)23/h4-7H,3,8H2,1-2H3,(H,16,21)(H,18,20)