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

Systemtic Name: butyl 4-(2-methylprop-2-enylcarbamothioylamino)benzoate Openeye Name: butyl 4-(2-methylallylcarbamothioylamino)benzoate CAS Name: 4-[[(2-methylprop-2-enylamino)-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(2-methylprop-2-enylcarbamothioylamino)benzoate Traditional Name: 4-(2-methylallylthiocarbamoylamino)benzoic acid butyl ester Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NCC(=C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NCC(=C)C

InChI

InChI=1S/C16H22N2O2S/c1-4-5-10-20-15(19)13-6-8-14(9-7-13)18-16(21)17-11-12(2)3/h6-9H,2,4-5,10-11H2,1,3H3,(H2,17,18,21)