4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide

Systemtic Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide Openeye Name: 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitro-N-[3-(2-oxo-1-azepanyl)propyl]benzamide IUPAC Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C20H24N4O4S2 MolecularWeight: 448.55896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCCCN3CCCCCC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCCCN3CCCCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4S2/c1-14-13-29-20(22-14)30-17-8-7-15(12-16(17)24(27)28)19(26)21-9-5-11-23-10-4-2-3-6-18(23)25/h7-8,12-13H,2-6,9-11H2,1H3,(H,21,26)