N-(2-cyclopentylsulfanylphenyl)-4-(2-methoxyethylamino)-3-nitro-benzamide

Systemtic Name: N-(2-cyclopentylsulfanylphenyl)-4-(2-methoxyethylamino)-3-nitro-benzamide Openeye Name: N-(2-cyclopentylsulfanylphenyl)-4-(2-methoxyethylamino)-3-nitro-benzamide CAS Name: N-[2-(cyclopentylthio)phenyl]-4-(2-methoxyethylamino)-3-nitrobenzamide IUPAC Name: N-(2-cyclopentylsulfanylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide Traditional Name: N-[2-(cyclopentylthio)phenyl]-4-(2-methoxyethylamino)-3-nitro-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2SC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2SC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4S/c1-28-13-12-22-17-11-10-15(14-19(17)24(26)27)21(25)23-18-8-4-5-9-20(18)29-16-6-2-3-7-16/h4-5,8-11,14,16,22H,2-3,6-7,12-13H2,1H3,(H,23,25)