dimethyl 2-(butylcarbamothioylamino)benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-(butylcarbamothioylamino)benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-(butylcarbamothioylamino)benzene-1,4-dicarboxylate CAS Name: 2-[[butylamino(sulfanylidene)methyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(butylcarbamothioylamino)benzene-1,4-dicarboxylate Traditional Name: 2-(butylthiocarbamoylamino)benzene-1,4-dicarboxylic acid dimethyl ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4S/c1-4-5-8-16-15(22)17-12-9-10(13(18)20-2)6-7-11(12)14(19)21-3/h6-7,9H,4-5,8H2,1-3H3,(H2,16,17,22)