methyl 5-fluoranyl-3-[(4-fluorophenyl)carbamothioylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-fluoranyl-3-[(4-fluorophenyl)carbamothioylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-fluoro-3-[(4-fluorophenyl)carbamothioylamino]-1H-indole-2-carboxylate CAS Name: 5-fluoro-3-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-fluoro-3-[(4-fluorophenyl)carbamothioylamino]-1H-indole-2-carboxylate Traditional Name: 5-fluoro-3-[(4-fluorophenyl)thiocarbamoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C17H13F2N3O2S MolecularWeight: 361.365826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C17H13F2N3O2S/c1-24-16(23)15-14(12-8-10(19)4-7-13(12)21-15)22-17(25)20-11-5-2-9(18)3-6-11/h2-8,21H,1H3,(H2,20,22,25)