(3-morpholin-4-ylsulfonylphenyl)methyl N'-(2,6-dimethylphenyl)carbamimidothioate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-(2,6-dimethylphenyl)carbamimidothioate Openeye Name: 3-(2,6-dimethylphenyl)-2-[(3-morpholinosulfonylphenyl)methyl]isothiourea CAS Name: N'-(2,6-dimethylphenyl)carbamimidothioic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-(2,6-dimethylphenyl)carbamimidothioate Traditional Name: 3-(2,6-dimethylphenyl)-2-(3-morpholinosulfonylbenzyl)isothiourea Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N=C(N)SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)N=C(N)SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H25N3O3S2/c1-15-5-3-6-16(2)19(15)22-20(21)27-14-17-7-4-8-18(13-17)28(24,25)23-9-11-26-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H2,21,22)