4-[2-azanylethyl(carbamothioyl)amino]-5-chloranyl-2-methoxy-benzoic acid

Systemtic Name: 4-[2-azanylethyl(carbamothioyl)amino]-5-chloranyl-2-methoxy-benzoic acid Openeye Name: 4-[2-aminoethyl(carbamothioyl)amino]-5-chloro-2-methoxy-benzoic acid CAS Name: 4-[2-aminoethyl(carbamothioyl)amino]-5-chloro-2-methoxybenzoic acid IUPAC Name: 4-[2-aminoethyl(carbamothioyl)amino]-5-chloro-2-methoxybenzoic acid Traditional Name: 4-[2-aminoethyl(thiocarbamoyl)amino]-5-chloro-2-methoxy-benzoic acid Formula: C11H14ClN3O3S MolecularWeight: 303.76516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)Cl)N(CCN)C(=S)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)Cl)N(CCN)C(=S)N

InChI

InChI=1S/C11H14ClN3O3S/c1-18-9-5-8(15(3-2-13)11(14)19)7(12)4-6(9)10(16)17/h4-5H,2-3,13H2,1H3,(H2,14,19)(H,16,17)