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

Systemtic Name: 1-(2-cyanoethyl)-1-(2-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-(2-cyanoethyl)-1-(2-fluorophenyl)-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-(2-cyanoethyl)-1-(2-fluorophenyl)-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(2-cyanoethyl)-1-(2-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-(2-cyanoethyl)-1-(2-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=CC=C3F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N(CCC#N)C3=CC=CC=C3F

InChI

InChI=1S/C20H21FN4O3S2/c21-18-4-1-2-5-19(18)25(11-3-10-22)20(29)23-16-6-8-17(9-7-16)30(26,27)24-12-14-28-15-13-24/h1-2,4-9H,3,11-15H2,(H,23,29)