(3-morpholin-4-ylsulfonylphenyl)methyl N'-(3-methylphenyl)carbamimidothioate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-(3-methylphenyl)carbamimidothioate Openeye Name: 2-[(3-morpholinosulfonylphenyl)methyl]-3-(m-tolyl)isothiourea CAS Name: N'-(3-methylphenyl)carbamimidothioic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-(3-methylphenyl)carbamimidothioate Traditional Name: 2-(3-morpholinosulfonylbenzyl)-3-(m-tolyl)isothiourea Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S2/c1-15-4-2-6-17(12-15)21-19(20)26-14-16-5-3-7-18(13-16)27(23,24)22-8-10-25-11-9-22/h2-7,12-13H,8-11,14H2,1H3,(H2,20,21)