methyl 2-[[(3-fluorophenyl)carbamothioyl-methyl-amino]carbamoyl]benzoate

Systemtic Name: methyl 2-[[(3-fluorophenyl)carbamothioyl-methyl-amino]carbamoyl]benzoate Openeye Name: methyl 2-[[(3-fluorophenyl)carbamothioyl-methyl-amino]carbamoyl]benzoate CAS Name: 2-[[2-[(3-fluoroanilino)-sulfanylidenemethyl]-2-methylhydrazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[(3-fluorophenyl)carbamothioyl-methylamino]carbamoyl]benzoate Traditional Name: 2-[[(3-fluorophenyl)thiocarbamoyl-methyl-amino]carbamoyl]benzoic acid methyl ester Formula: C17H16FN3O3S MolecularWeight: 361.390643

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NC1=CC(=CC=C1)F)NC(=O)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CN(C(=S)NC1=CC(=CC=C1)F)NC(=O)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C17H16FN3O3S/c1-21(17(25)19-12-7-5-6-11(18)10-12)20-15(22)13-8-3-4-9-14(13)16(23)24-2/h3-10H,1-2H3,(H,19,25)(H,20,22)