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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC(=NCCC3=CC=CC=C3)N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC(=NCCC3=CC=CC=C3)N

InChI

InChI=1S/C20H25N3O3S2/c21-20(22-10-9-17-5-2-1-3-6-17)27-16-18-7-4-8-19(15-18)28(24,25)23-11-13-26-14-12-23/h1-8,15H,9-14,16H2,(H2,21,22)