ethyl 3-[5-(diethylamino)pentan-2-ylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[5-(diethylamino)pentan-2-ylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[[4-(diethylamino)-1-methyl-butyl]carbamothioylamino]benzoate CAS Name: 3-[[[5-(diethylamino)pentan-2-ylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[5-(diethylamino)pentan-2-ylcarbamothioylamino]benzoate Traditional Name: 3-[[4-(diethylamino)-1-methyl-butyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H31N3O2S MolecularWeight: 365.53334

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC(=S)NC1=CC=CC(=C1)C(=O)OCC

Isomeric SMILES

CCN(CC)CCCC(C)NC(=S)NC1=CC=CC(=C1)C(=O)OCC

InChI

InChI=1S/C19H31N3O2S/c1-5-22(6-2)13-9-10-15(4)20-19(25)21-17-12-8-11-16(14-17)18(23)24-7-3/h8,11-12,14-15H,5-7,9-10,13H2,1-4H3,(H2,20,21,25)