ethyl 3-[[4-(4-fluorophenyl)piperazin-1-yl]carbothioylamino]-5-methoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[[4-(4-fluorophenyl)piperazin-1-yl]carbothioylamino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[[4-(4-fluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C23H25FN4O3S MolecularWeight: 456.533003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN4O3S/c1-3-31-22(29)21-20(18-14-17(30-2)8-9-19(18)25-21)26-23(32)28-12-10-27(11-13-28)16-6-4-15(24)5-7-16/h4-9,14,25H,3,10-13H2,1-2H3,(H,26,32)