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

Systemtic Name: N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-4-nitro-benzamide Openeye Name: N-isopentyl-N-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-(3-methylbutyl)-N-[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl]-4-nitrobenzamide IUPAC Name: N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-nitrobenzamide Traditional Name: N-isoamyl-N-[2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl]-4-nitro-benzamide Formula: C18H22N4O4S MolecularWeight: 390.45668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S/c1-12(2)8-9-21(10-16(23)20-18-19-13(3)11-27-18)17(24)14-4-6-15(7-5-14)22(25)26/h4-7,11-12H,8-10H2,1-3H3,(H,19,20,23)