3-ethoxy-N-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-ethoxy-N-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3-ethoxy-N-[[(4-isobutoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-ethoxy-N-[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-ethoxy-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 3-ethoxy-N-[[(4-isobutoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC(C)C

InChI

InChI=1S/C21H25N3O4S/c1-4-27-18-7-5-6-16(12-18)19(25)22-21(29)24-23-20(26)15-8-10-17(11-9-15)28-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,23,26)(H2,22,24,25,29)