(3S)-2,2-dimethyl-1-(phenylmethyl)-3-sulfanyl-3H-pyrrole-4-carbothioamide

Systemtic Name: (3S)-2,2-dimethyl-1-(phenylmethyl)-3-sulfanyl-3H-pyrrole-4-carbothioamide Openeye Name: (3S)-1-benzyl-2,2-dimethyl-3-sulfanyl-3H-pyrrole-4-carbothioamide CAS Name: (3S)-3-mercapto-2,2-dimethyl-1-(phenylmethyl)-3H-pyrrole-4-carbothioamide IUPAC Name: (3S)-1-benzyl-2,2-dimethyl-3-sulfanyl-3H-pyrrole-4-carbothioamide Traditional Name: (4S)-1-benzyl-4-mercapto-5,5-dimethyl-2-pyrroline-3-carbothioamide Formula: C14H18N2S2 MolecularWeight: 278.43612

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=CN1CC2=CC=CC=C2)C(=S)N)S)C

Isomeric SMILES

CC1([C@H](C(=CN1CC2=CC=CC=C2)C(=S)N)S)C

InChI

InChI=1S/C14H18N2S2/c1-14(2)12(17)11(13(15)18)9-16(14)8-10-6-4-3-5-7-10/h3-7,9,12,17H,8H2,1-2H3,(H2,15,18)/t12-/m0/s1