4-[(3-methoxypropylcarbamothioylamino)methyl]benzoic acid

Systemtic Name: 4-[(3-methoxypropylcarbamothioylamino)methyl]benzoic acid Openeye Name: 4-[(3-methoxypropylcarbamothioylamino)methyl]benzoic acid CAS Name: 4-[[[(3-methoxypropylamino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[(3-methoxypropylcarbamothioylamino)methyl]benzoic acid Traditional Name: 4-[(3-methoxypropylthiocarbamoylamino)methyl]benzoic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)NCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

COCCCNC(=S)NCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H18N2O3S/c1-18-8-2-7-14-13(19)15-9-10-3-5-11(6-4-10)12(16)17/h3-6H,2,7-9H2,1H3,(H,16,17)(H2,14,15,19)