methyl 3-(butylcarbamothioylamino)-4-methyl-benzoate

Systemtic Name: methyl 3-(butylcarbamothioylamino)-4-methyl-benzoate Openeye Name: methyl 3-(butylcarbamothioylamino)-4-methyl-benzoate CAS Name: 3-[[butylamino(sulfanylidene)methyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(butylcarbamothioylamino)-4-methylbenzoate Traditional Name: 3-(butylthiocarbamoylamino)-4-methyl-benzoic acid methyl ester Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2S/c1-4-5-8-15-14(19)16-12-9-11(13(17)18-3)7-6-10(12)2/h6-7,9H,4-5,8H2,1-3H3,(H2,15,16,19)