methyl 3-(butylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 3-(butylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 3-(butylcarbamothioylcarbamoyl)benzoate CAS Name: 3-[[[butylamino(sulfanylidene)methyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(butylcarbamothioylcarbamoyl)benzoate Traditional Name: 3-(butylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3S/c1-3-4-8-15-14(20)16-12(17)10-6-5-7-11(9-10)13(18)19-2/h5-7,9H,3-4,8H2,1-2H3,(H2,15,16,17,20)