dimethyl 5-(2-methylbutylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-methylbutylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(2-methylbutylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(2-methylbutylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(2-methylbutylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(2-methylbutylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC(=S)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC

Isomeric SMILES

CCC(C)CNC(=S)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H22N2O4S/c1-5-10(2)9-17-16(23)18-13-7-11(14(19)21-3)6-12(8-13)15(20)22-4/h6-8,10H,5,9H2,1-4H3,(H2,17,18,23)