methyl 3-[bis(2-methylpropyl)carbamothioylamino]benzoate

Systemtic Name: methyl 3-[bis(2-methylpropyl)carbamothioylamino]benzoate Openeye Name: methyl 3-(diisobutylcarbamothioylamino)benzoate CAS Name: 3-[[[bis(2-methylpropyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[bis(2-methylpropyl)carbamothioylamino]benzoate Traditional Name: 3-(diisobutylthiocarbamoylamino)benzoic acid methyl ester Formula: C17H26N2O2S MolecularWeight: 322.46554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=S)NC1=CC=CC(=C1)C(=O)OC

Isomeric SMILES

CC(C)CN(CC(C)C)C(=S)NC1=CC=CC(=C1)C(=O)OC

InChI

InChI=1S/C17H26N2O2S/c1-12(2)10-19(11-13(3)4)17(22)18-15-8-6-7-14(9-15)16(20)21-5/h6-9,12-13H,10-11H2,1-5H3,(H,18,22)