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methyl 3-(pentanoylcarbamothioylamino)benzoate

methyl 3-(pentanoylcarbamothioylamino)benzoate

Systemtic Name:methyl 3-(pentanoylcarbamothioylamino)benzoate
Openeye Name:methyl 3-(pentanoylcarbamothioylamino)benzoate
CAS Name:3-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester
IUPAC Name:methyl 3-(pentanoylcarbamothioylamino)benzoate
Traditional Name:3-(valerylthiocarbamoylamino)benzoic acid methyl ester
Formula: C14H18N2O3S
MolecularWeight: 294.36932
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)OC


Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)OC


InChI

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


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