tert-butyl 4-[[4-(diethylamino)phenyl]carbamothioylamino]butanoate

Systemtic Name: tert-butyl 4-[[4-(diethylamino)phenyl]carbamothioylamino]butanoate Openeye Name: tert-butyl 4-[[4-(diethylamino)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-(diethylamino)anilino]-sulfanylidenemethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(diethylamino)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[4-(diethylamino)phenyl]thiocarbamoylamino]butyric acid tert-butyl ester Formula: C19H31N3O2S MolecularWeight: 365.53334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=S)NCCCC(=O)OC(C)(C)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=S)NCCCC(=O)OC(C)(C)C

InChI

InChI=1S/C19H31N3O2S/c1-6-22(7-2)16-12-10-15(11-13-16)21-18(25)20-14-8-9-17(23)24-19(3,4)5/h10-13H,6-9,14H2,1-5H3,(H2,20,21,25)