3-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-4-nitro-benzamide

Systemtic Name: 3-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: 3-methyl-N-[[4-(morpholinomethyl)phenyl]carbamothioyl]-4-nitro-benzamide CAS Name: 3-methyl-N-[[4-(4-morpholinylmethyl)anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: 3-methyl-N-[[4-(morpholinomethyl)phenyl]thiocarbamoyl]-4-nitro-benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-14-12-16(4-7-18(14)24(26)27)19(25)22-20(29)21-17-5-2-15(3-6-17)13-23-8-10-28-11-9-23/h2-7,12H,8-11,13H2,1H3,(H2,21,22,25,29)