ethyl 4-[[[4-(diethylamino)phenyl]carbonylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[[4-(diethylamino)phenyl]carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[4-(diethylamino)benzoyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[[4-(diethylamino)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[4-(diethylamino)benzoyl]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[4-(diethylamino)benzoyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C21H26N4O3S/c1-4-25(5-2)18-13-9-15(10-14-18)19(26)23-24-21(29)22-17-11-7-16(8-12-17)20(27)28-6-3/h7-14H,4-6H2,1-3H3,(H,23,26)(H2,22,24,29)