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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4S/c1-4-5-6-7-17-16(23)18-13-9-11(14(19)21-2)8-12(10-13)15(20)22-3/h8-10H,4-7H2,1-3H3,(H2,17,18,23)