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

Systemtic Name: 1-(2-cyanoethyl)-1-(2-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-(2-cyanoethyl)-1-(2-methoxyphenyl)-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-(2-cyanoethyl)-1-(2-methoxyphenyl)-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(2-cyanoethyl)-1-(2-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-(2-cyanoethyl)-1-(2-methoxyphenyl)-3-(4-morpholinosulfonylphenyl)thiourea Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H24N4O4S2/c1-28-20-6-3-2-5-19(20)25(12-4-11-22)21(30)23-17-7-9-18(10-8-17)31(26,27)24-13-15-29-16-14-24/h2-3,5-10H,4,12-16H2,1H3,(H,23,30)