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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC(=NCC3=CC=CC=C3)N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC(=NCC3=CC=CC=C3)N

InChI

InChI=1S/C19H23N3O3S2/c20-19(21-14-16-5-2-1-3-6-16)26-15-17-7-4-8-18(13-17)27(23,24)22-9-11-25-12-10-22/h1-8,13H,9-12,14-15H2,(H2,20,21)