N-[(4-heptoxyphenyl)carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[(4-heptoxyphenyl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(4-heptoxyphenyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[(4-heptoxyanilino)-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(4-heptoxyphenyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(4-heptoxyphenyl)thiocarbamoyl]-4-nitro-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4S/c1-2-3-4-5-6-15-28-19-13-9-17(10-14-19)22-21(29)23-20(25)16-7-11-18(12-8-16)24(26)27/h7-14H,2-6,15H2,1H3,(H2,22,23,25,29)