N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-N-(3-methoxypropyl)-3-nitro-benzamide

Systemtic Name: N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-N-(3-methoxypropyl)-3-nitro-benzamide Openeye Name: N-[2-[(4,5-dimethylthiazol-2-yl)amino]-2-oxo-ethyl]-N-(3-methoxypropyl)-3-nitro-benzamide CAS Name: N-[2-[(4,5-dimethyl-2-thiazolyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-nitrobenzamide IUPAC Name: N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-nitrobenzamide Traditional Name: N-[2-[(4,5-dimethylthiazol-2-yl)amino]-2-keto-ethyl]-N-(3-methoxypropyl)-3-nitro-benzamide Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CN(CCCOC)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CN(CCCOC)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H22N4O5S/c1-12-13(2)28-18(19-12)20-16(23)11-21(8-5-9-27-3)17(24)14-6-4-7-15(10-14)22(25)26/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,19,20,23)