(3-morpholin-4-ylsulfonylphenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Openeye Name: 2-[(3-morpholinosulfonylphenyl)methyl]-3-[(1R)-1-phenylethyl]isothiourea CAS Name: N'-[(1R)-1-phenylethyl]carbamimidothioic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Traditional Name: 2-(3-morpholinosulfonylbenzyl)-3-[(1R)-1-phenylethyl]isothiourea Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N=C(N)SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H25N3O3S2/c1-16(18-7-3-2-4-8-18)22-20(21)27-15-17-6-5-9-19(14-17)28(24,25)23-10-12-26-13-11-23/h2-9,14,16H,10-13,15H2,1H3,(H2,21,22)/t16-/m1/s1