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

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-(4-methoxyphenyl)carbamimidothioate Openeye Name: 3-(4-methoxyphenyl)-2-[(3-morpholinosulfonylphenyl)methyl]isothiourea CAS Name: N'-(4-methoxyphenyl)carbamimidothioic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-(4-methoxyphenyl)carbamimidothioate Traditional Name: 3-(4-methoxyphenyl)-2-(3-morpholinosulfonylbenzyl)isothiourea Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C(N)SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)N=C(N)SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H23N3O4S2/c1-25-17-7-5-16(6-8-17)21-19(20)27-14-15-3-2-4-18(13-15)28(23,24)22-9-11-26-12-10-22/h2-8,13H,9-12,14H2,1H3,(H2,20,21)