4-[2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[2-[4-(2-methylthiazol-4-yl)phenyl]ethylamino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[2-[4-(2-methyl-4-thiazolyl)phenyl]ethylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[2-[4-(2-methylthiazol-4-yl)phenyl]ethylamino]ethyl]thio]-3-nitro-benzamide Formula: C21H20N4O4S2 MolecularWeight: 456.5379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)CCNC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)CCNC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4S2/c1-13-24-17(11-30-13)15-4-2-14(3-5-15)8-9-23-20(26)12-31-19-7-6-16(21(22)27)10-18(19)25(28)29/h2-7,10-11H,8-9,12H2,1H3,(H2,22,27)(H,23,26)