methyl 2-(butylcarbamothioylamino)-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-(butylcarbamothioylamino)-4,5-dimethoxy-benzoate Openeye Name: methyl 2-(butylcarbamothioylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[butylamino(sulfanylidene)methyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-(butylcarbamothioylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(butylthiocarbamoylamino)-4,5-dimethoxy-benzoic acid methyl ester Formula: C15H22N2O4S MolecularWeight: 326.41118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC(=C(C=C1C(=O)OC)OC)OC

Isomeric SMILES

CCCCNC(=S)NC1=CC(=C(C=C1C(=O)OC)OC)OC

InChI

InChI=1S/C15H22N2O4S/c1-5-6-7-16-15(22)17-11-9-13(20-3)12(19-2)8-10(11)14(18)21-4/h8-9H,5-7H2,1-4H3,(H2,16,17,22)