(3-morpholin-4-ylsulfonylphenyl)methyl N'-phenylcarbamimidothioate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-phenylcarbamimidothioate Openeye Name: 2-[(3-morpholinosulfonylphenyl)methyl]-3-phenyl-isothiourea CAS Name: N'-phenylcarbamimidothioic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-phenylcarbamimidothioate Traditional Name: 2-(3-morpholinosulfonylbenzyl)-3-phenyl-isothiourea Formula: C18H21N3O3S2 MolecularWeight: 391.50764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC(=NC3=CC=CC=C3)N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC(=NC3=CC=CC=C3)N

InChI

InChI=1S/C18H21N3O3S2/c19-18(20-16-6-2-1-3-7-16)25-14-15-5-4-8-17(13-15)26(22,23)21-9-11-24-12-10-21/h1-8,13H,9-12,14H2,(H2,19,20)