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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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