ethyl 4-(6-methylheptan-2-ylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(6-methylheptan-2-ylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(1,5-dimethylhexylcarbamothioylamino)benzoate CAS Name: 4-[[(6-methylheptan-2-ylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(6-methylheptan-2-ylcarbamothioylamino)benzoate Traditional Name: 4-(1,5-dimethylhexylthiocarbamoylamino)benzoic acid ethyl ester Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(C)CCCC(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(C)CCCC(C)C

InChI

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