dimethyl 5-(pentanoylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(pentanoylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(pentanoylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(pentanoylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(valerylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H20N2O5S/c1-4-5-6-13(19)18-16(24)17-12-8-10(14(20)22-2)7-11(9-12)15(21)23-3/h7-9H,4-6H2,1-3H3,(H2,17,18,19,24)