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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NCCCOC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NCCCOC

InChI

InChI=1S/C13H18N2O3S/c1-9-4-5-10(12(16)17)8-11(9)15-13(19)14-6-3-7-18-2/h4-5,8H,3,6-7H2,1-2H3,(H,16,17)(H2,14,15,19)