ethyl 4-[di(butan-2-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[di(butan-2-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-(disec-butylcarbamothioylamino)benzoate CAS Name: 4-[[[di(butan-2-yl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[di(butan-2-yl)carbamothioylamino]benzoate Traditional Name: 4-(disec-butylthiocarbamoylamino)benzoic acid ethyl ester Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C(C)CC)C(=S)NC1=CC=C(C=C1)C(=O)OCC

Isomeric SMILES

CCC(C)N(C(C)CC)C(=S)NC1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C18H28N2O2S/c1-6-13(4)20(14(5)7-2)18(23)19-16-11-9-15(10-12-16)17(21)22-8-3/h9-14H,6-8H2,1-5H3,(H,19,23)