N-[[[4-(cyclopropylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: N-[[[4-(cyclopropylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[[[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]thiocarbamoyl]-2-hexoxy-benzamide Formula: C25H30N4O4S MolecularWeight: 482.5951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3

InChI

InChI=1S/C25H30N4O4S/c1-2-3-4-7-16-33-21-9-6-5-8-20(21)24(32)27-25(34)29-28-23(31)18-12-14-19(15-13-18)26-22(30)17-10-11-17/h5-6,8-9,12-15,17H,2-4,7,10-11,16H2,1H3,(H,26,30)(H,28,31)(H2,27,29,32,34)