ethyl 4-(3-ethylpent-1-yn-3-ylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(3-ethylpent-1-yn-3-ylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(1,1-diethylprop-2-ynylcarbamothioylamino)benzoate CAS Name: 4-[[(3-ethylpent-1-yn-3-ylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-ethylpent-1-yn-3-ylcarbamothioylamino)benzoate Traditional Name: 4-(1,1-diethylprop-2-ynylthiocarbamoylamino)benzoic acid ethyl ester Formula: C17H22N2O2S MolecularWeight: 318.43378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=S)NC1=CC=C(C=C1)C(=O)OCC

Isomeric SMILES

CCC(CC)(C#C)NC(=S)NC1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C17H22N2O2S/c1-5-17(6-2,7-3)19-16(22)18-14-11-9-13(10-12-14)15(20)21-8-4/h1,9-12H,6-8H2,2-4H3,(H2,18,19,22)