N-[(2S)-3-methylbutan-2-yl]-2-(1H-perimidin-2-ylsulfanyl)ethanamide

Systemtic Name: N-[(2S)-3-methylbutan-2-yl]-2-(1H-perimidin-2-ylsulfanyl)ethanamide Openeye Name: N-[(1S)-1,2-dimethylpropyl]-2-(1H-perimidin-2-ylsulfanyl)acetamide CAS Name: N-[(2S)-3-methylbutan-2-yl]-2-(1H-perimidin-2-ylthio)acetamide IUPAC Name: N-[(2S)-3-methylbutan-2-yl]-2-(1H-perimidin-2-ylsulfanyl)acetamide Traditional Name: N-[(1S)-1,2-dimethylpropyl]-2-(1H-perimidin-2-ylthio)acetamide Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)CSC1=NC2=CC=CC3=C2C(=CC=C3)N1

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)CSC1=NC2=CC=CC3=C2C(=CC=C3)N1

InChI

InChI=1S/C18H21N3OS/c1-11(2)12(3)19-16(22)10-23-18-20-14-8-4-6-13-7-5-9-15(21-18)17(13)14/h4-9,11-12H,10H2,1-3H3,(H,19,22)(H,20,21)/t12-/m0/s1