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

Systemtic Name: methyl 3-[(4-fluorophenyl)carbamothioylamino]-5-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[(4-fluorophenyl)carbamothioylamino]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-fluorophenyl)carbamothioylamino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[(4-fluorophenyl)thiocarbamoylamino]-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C18H16FN3O2S MolecularWeight: 357.401943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=S)NC3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=S)NC3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C18H16FN3O2S/c1-10-3-8-14-13(9-10)15(16(21-14)17(23)24-2)22-18(25)20-12-6-4-11(19)5-7-12/h3-9,21H,1-2H3,(H2,20,22,25)