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

Systemtic Name: dimethyl 5-(cyclopentylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(cyclopentylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(cyclopentylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(cyclopentylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(cyclopentylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2CCCC2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2CCCC2)C(=O)OC

InChI

InChI=1S/C16H20N2O4S/c1-21-14(19)10-7-11(15(20)22-2)9-13(8-10)18-16(23)17-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H2,17,18,23)