3-nitro-4-[2-oxidanylidene-2-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylbenzamide Traditional Name: 4-[[2-[(5-amyl-1,3,4-thiadiazol-2-yl)amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C16H19N5O4S2 MolecularWeight: 409.48316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4S2/c1-2-3-4-5-14-19-20-16(27-14)18-13(22)9-26-12-7-6-10(15(17)23)8-11(12)21(24)25/h6-8H,2-5,9H2,1H3,(H2,17,23)(H,18,20,22)