N-[(2-methylsulfanylphenyl)methyl]-3-oxidanylidene-5-[(1R)-1-phenylethyl]sulfanyl-1,2-thiazole-4-carboxamide

Systemtic Name: N-[(2-methylsulfanylphenyl)methyl]-3-oxidanylidene-5-[(1R)-1-phenylethyl]sulfanyl-1,2-thiazole-4-carboxamide Openeye Name: N-[(2-methylsulfanylphenyl)methyl]-3-oxo-5-[(1R)-1-phenylethyl]sulfanyl-isothiazole-4-carboxamide CAS Name: N-[[2-(methylthio)phenyl]methyl]-3-oxo-5-[[(1R)-1-phenylethyl]thio]-4-isothiazolecarboxamide IUPAC Name: N-[(2-methylsulfanylphenyl)methyl]-3-oxo-5-[(1R)-1-phenylethyl]sulfanyl-1,2-thiazole-4-carboxamide Traditional Name: 3-keto-N-[2-(methylthio)benzyl]-5-[[(1R)-1-phenylethyl]thio]-4-isothiazoline-4-carboxamide Formula: C20H20N2O2S3 MolecularWeight: 416.58

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=C(C(=O)NS2)C(=O)NCC3=CC=CC=C3SC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)SC2=C(C(=O)NS2)C(=O)NCC3=CC=CC=C3SC

InChI

InChI=1S/C20H20N2O2S3/c1-13(14-8-4-3-5-9-14)26-20-17(19(24)22-27-20)18(23)21-12-15-10-6-7-11-16(15)25-2/h3-11,13H,12H2,1-2H3,(H,21,23)(H,22,24)/t13-/m1/s1