N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-oxidanylidenequinazolin-3-yl)ethanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-oxidanylidenequinazolin-3-yl)ethanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-oxoquinazolin-3-yl)acetamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(4-ketoquinazolin-3-yl)acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21N5O2S/c1-29-11-10-18(20-24-16-8-4-5-9-17(16)25-20)23-19(27)12-26-13-22-15-7-3-2-6-14(15)21(26)28/h2-9,13,18H,10-12H2,1H3,(H,23,27)(H,24,25)/t18-/m0/s1