1-(2-cyanoethyl)-1-(4-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-1-(4-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-(2-cyanoethyl)-1-(4-fluorophenyl)-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-(2-cyanoethyl)-1-(4-fluorophenyl)-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(2-cyanoethyl)-1-(4-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-(2-cyanoethyl)-1-(4-fluorophenyl)-3-(4-morpholinosulfonylphenyl)thiourea Formula: C20H21FN4O3S2 MolecularWeight: 448.534143

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N(CCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N(CCC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN4O3S2/c21-16-2-6-18(7-3-16)25(11-1-10-22)20(29)23-17-4-8-19(9-5-17)30(26,27)24-12-14-28-15-13-24/h2-9H,1,11-15H2,(H,23,29)