4-chloranyl-N-[3-methyl-1-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[3-methyl-1-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-methyl-1-[[4-methyl-5-(1-methylimidazol-2-yl)thiazol-2-yl]carbamoyl]propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[3-methyl-1-[[4-methyl-5-(1-methyl-2-imidazolyl)-2-thiazolyl]amino]-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[3-methyl-1-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-methyl-1-[[4-methyl-5-(1-methylimidazol-2-yl)thiazol-2-yl]carbamoyl]propyl]-3-nitro-benzamide Formula: C20H21ClN6O4S MolecularWeight: 476.93654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C(C(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=NC=CN3C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C(C(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=NC=CN3C

InChI

InChI=1S/C20H21ClN6O4S/c1-10(2)15(24-18(28)12-5-6-13(21)14(9-12)27(30)31)19(29)25-20-23-11(3)16(32-20)17-22-7-8-26(17)4/h5-10,15H,1-4H3,(H,24,28)(H,23,25,29)