N-[[4-(diethylamino)-2-methyl-phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[[4-(diethylamino)-2-methyl-phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[4-(diethylamino)-2-methyl-phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[4-(diethylamino)-2-methylanilino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[4-(diethylamino)-2-methylphenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[[4-(diethylamino)-2-methyl-phenyl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C20H24N4O4S MolecularWeight: 416.49396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S/c1-5-23(6-2)15-8-9-16(13(3)11-15)21-20(29)22-19(25)14-7-10-18(28-4)17(12-14)24(26)27/h7-12H,5-6H2,1-4H3,(H2,21,22,25,29)