methyl 4-(butan-2-ylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 4-(butan-2-ylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 4-(sec-butylcarbamothioylcarbamoyl)benzoate CAS Name: 4-[[[(butan-2-ylamino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-(butan-2-ylcarbamothioylcarbamoyl)benzoate Traditional Name: 4-(sec-butylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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