2-azanyl-3-[(4-methylthiophen-3-yl)carbamothioylamino]benzoic acid

Systemtic Name: 2-azanyl-3-[(4-methylthiophen-3-yl)carbamothioylamino]benzoic acid Openeye Name: 2-amino-3-[(4-methyl-3-thienyl)carbamothioylamino]benzoic acid CAS Name: 2-amino-3-[[[(4-methyl-3-thiophenyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-amino-3-[(4-methylthiophen-3-yl)carbamothioylamino]benzoic acid Traditional Name: 2-amino-3-[(4-methyl-3-thienyl)thiocarbamoylamino]benzoic acid Formula: C13H13N3O2S2 MolecularWeight: 307.39122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC=C1NC(=S)NC2=CC=CC(=C2N)C(=O)O

Isomeric SMILES

CC1=CSC=C1NC(=S)NC2=CC=CC(=C2N)C(=O)O

InChI

InChI=1S/C13H13N3O2S2/c1-7-5-20-6-10(7)16-13(19)15-9-4-2-3-8(11(9)14)12(17)18/h2-6H,14H2,1H3,(H,17,18)(H2,15,16,19)