2-diethylaminoethyl 4-(2-methylprop-2-enylcarbamothioylamino)benzoate

Systemtic Name: 2-diethylaminoethyl 4-(2-methylprop-2-enylcarbamothioylamino)benzoate Openeye Name: 2-diethylaminoethyl 4-(2-methylallylcarbamothioylamino)benzoate CAS Name: 4-[[(2-methylprop-2-enylamino)-sulfanylidenemethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-(2-methylprop-2-enylcarbamothioylamino)benzoate Traditional Name: 4-(2-methylallylthiocarbamoylamino)benzoic acid 2-diethylaminoethyl ester Formula: C18H27N3O2S MolecularWeight: 349.49088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC(=C)C

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC(=C)C

InChI

InChI=1S/C18H27N3O2S/c1-5-21(6-2)11-12-23-17(22)15-7-9-16(10-8-15)20-18(24)19-13-14(3)4/h7-10H,3,5-6,11-13H2,1-2,4H3,(H2,19,20,24)