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

Systemtic Name: N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-N-pentyl-benzamide Openeye Name: N-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]-3-nitro-N-pentyl-benzamide CAS Name: N-[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl]-3-nitro-N-pentylbenzamide IUPAC Name: N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-nitro-N-pentylbenzamide Traditional Name: N-amyl-N-[2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl]-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)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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