pentyl 2-[[4-(diethylamino)phenyl]carbamothioylamino]ethanoate

Systemtic Name: pentyl 2-[[4-(diethylamino)phenyl]carbamothioylamino]ethanoate Openeye Name: pentyl 2-[[4-(diethylamino)phenyl]carbamothioylamino]acetate CAS Name: 2-[[[4-(diethylamino)anilino]-sulfanylidenemethyl]amino]acetic acid pentyl ester IUPAC Name: pentyl 2-[[4-(diethylamino)phenyl]carbamothioylamino]acetate Traditional Name: 2-[[4-(diethylamino)phenyl]thiocarbamoylamino]acetic acid amyl ester Formula: C18H29N3O2S MolecularWeight: 351.50676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CNC(=S)NC1=CC=C(C=C1)N(CC)CC

Isomeric SMILES

CCCCCOC(=O)CNC(=S)NC1=CC=C(C=C1)N(CC)CC

InChI

InChI=1S/C18H29N3O2S/c1-4-7-8-13-23-17(22)14-19-18(24)20-15-9-11-16(12-10-15)21(5-2)6-3/h9-12H,4-8,13-14H2,1-3H3,(H2,19,20,24)