ethyl 5-chloranyl-3-[(4-fluorophenyl)carbamothioylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-chloranyl-3-[(4-fluorophenyl)carbamothioylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-chloro-3-[(4-fluorophenyl)carbamothioylamino]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-3-[(4-fluorophenyl)carbamothioylamino]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[(4-fluorophenyl)thiocarbamoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C18H15ClFN3O2S MolecularWeight: 391.847003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClFN3O2S/c1-2-25-17(24)16-15(13-9-10(19)3-8-14(13)22-16)23-18(26)21-12-6-4-11(20)5-7-12/h3-9,22H,2H2,1H3,(H2,21,23,26)