4-methyl-3-nitro-N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyl-benzamide

Systemtic Name: 4-methyl-3-nitro-N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyl-benzamide Openeye Name: 4-methyl-3-nitro-N-[2-oxo-2-(thiazol-2-ylamino)ethyl]-N-pentyl-benzamide CAS Name: 4-methyl-3-nitro-N-[2-oxo-2-(2-thiazolylamino)ethyl]-N-pentylbenzamide IUPAC Name: 4-methyl-3-nitro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide Traditional Name: N-amyl-N-[2-keto-2-(thiazol-2-ylamino)ethyl]-4-methyl-3-nitro-benzamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)NC1=NC=CS1)C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(CC(=O)NC1=NC=CS1)C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-3-4-5-9-21(12-16(23)20-18-19-8-10-27-18)17(24)14-7-6-13(2)15(11-14)22(25)26/h6-8,10-11H,3-5,9,12H2,1-2H3,(H,19,20,23)