4-[2-[(4-cyclopentyloxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(4-cyclopentyloxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[4-(cyclopentoxy)anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(4-cyclopentyloxyanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[4-(cyclopentoxy)anilino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)OC2=CC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c21-20(25)13-5-10-18(17(11-13)23(26)27)29-12-19(24)22-14-6-8-16(9-7-14)28-15-3-1-2-4-15/h5-11,15H,1-4,12H2,(H2,21,25)(H,22,24)