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

Systemtic Name: N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-3,5-dinitro-N-propan-2-yl-benzamide Openeye Name: N-[2-[(4,5-dimethylthiazol-2-yl)amino]-2-oxo-ethyl]-N-isopropyl-3,5-dinitro-benzamide CAS Name: N-[2-[(4,5-dimethyl-2-thiazolyl)amino]-2-oxoethyl]-3,5-dinitro-N-propan-2-ylbenzamide IUPAC Name: N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-dinitro-N-propan-2-ylbenzamide Traditional Name: N-[2-[(4,5-dimethylthiazol-2-yl)amino]-2-keto-ethyl]-N-isopropyl-3,5-dinitro-benzamide Formula: C17H19N5O6S MolecularWeight: 421.42766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O6S/c1-9(2)20(8-15(23)19-17-18-10(3)11(4)29-17)16(24)12-5-13(21(25)26)7-14(6-12)22(27)28/h5-7,9H,8H2,1-4H3,(H,18,19,23)