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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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