methyl N'-[(1R)-1-phenylethyl]-N-thiophen-2-ylsulfonyl-carbamimidothioate

Systemtic Name: methyl N'-[(1R)-1-phenylethyl]-N-thiophen-2-ylsulfonyl-carbamimidothioate Openeye Name: 2-methyl-3-[(1R)-1-phenylethyl]-1-(2-thienylsulfonyl)isothiourea CAS Name: N'-[(1R)-1-phenylethyl]-N-thiophen-2-ylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(1R)-1-phenylethyl]-N-thiophen-2-ylsulfonylcarbamimidothioate Traditional Name: 2-methyl-3-[(1R)-1-phenylethyl]-1-(2-thienylsulfonyl)isothiourea Formula: C14H16N2O2S3 MolecularWeight: 340.48404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N=C(NS(=O)(=O)C2=CC=CS2)SC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N=C(NS(=O)(=O)C2=CC=CS2)SC

InChI

InChI=1S/C14H16N2O2S3/c1-11(12-7-4-3-5-8-12)15-14(19-2)16-21(17,18)13-9-6-10-20-13/h3-11H,1-2H3,(H,15,16)/t11-/m1/s1