(3-morpholin-4-ylsulfonylphenyl)methyl carbamimidothioate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl carbamimidothioate Openeye Name: 2-[(3-morpholinosulfonylphenyl)methyl]isothiourea CAS Name: carbamimidothioic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl carbamimidothioate Traditional Name: 2-(3-morpholinosulfonylbenzyl)isothiourea Formula: C12H17N3O3S2 MolecularWeight: 315.41168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3S2/c13-12(14)19-9-10-2-1-3-11(8-10)20(16,17)15-4-6-18-7-5-15/h1-3,8H,4-7,9H2,(H3,13,14)