N-[[4-(diethylaminomethyl)phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[[4-(diethylaminomethyl)phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[4-(diethylaminomethyl)phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[4-(diethylaminomethyl)anilino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[4-(diethylaminomethyl)phenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[4-(diethylaminomethyl)phenyl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C21H26N4O4S MolecularWeight: 430.52054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4S/c1-4-24(5-2)14-15-7-10-17(11-8-15)22-21(30)23-20(26)16-9-12-19(29-6-3)18(13-16)25(27)28/h7-13H,4-6,14H2,1-3H3,(H2,22,23,26,30)