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

Systemtic Name: N-(3-methoxypropyl)-2-[[3-methoxypropyl-(3-nitrophenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-(3-methoxypropyl)-2-[[3-methoxypropyl-(3-nitrobenzoyl)amino]methyl]thiazole-4-carboxamide CAS Name: N-(3-methoxypropyl)-2-[[3-methoxypropyl-[(3-nitrophenyl)-oxomethyl]amino]methyl]-4-thiazolecarboxamide IUPAC Name: N-(3-methoxypropyl)-2-[[3-methoxypropyl-(3-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-(3-methoxypropyl)-2-[[3-methoxypropyl-(3-nitrobenzoyl)amino]methyl]thiazole-4-carboxamide Formula: C20H26N4O6S MolecularWeight: 450.50864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O6S/c1-29-10-4-8-21-19(25)17-14-31-18(22-17)13-23(9-5-11-30-2)20(26)15-6-3-7-16(12-15)24(27)28/h3,6-7,12,14H,4-5,8-11,13H2,1-2H3,(H,21,25)