(2S)-2-azanyl-4-methylsulfanyl-N-[(E)-quinolin-8-ylmethylideneamino]butanamide

Systemtic Name: (2S)-2-azanyl-4-methylsulfanyl-N-[(E)-quinolin-8-ylmethylideneamino]butanamide Openeye Name: (2S)-2-amino-4-methylsulfanyl-N-[(E)-8-quinolylmethyleneamino]butanamide CAS Name: (2S)-2-amino-4-(methylthio)-N-[(E)-8-quinolinylmethylideneamino]butanamide IUPAC Name: (2S)-2-amino-4-methylsulfanyl-N-[(E)-quinolin-8-ylmethylideneamino]butanamide Traditional Name: (2S)-2-amino-4-(methylthio)-N-[(E)-8-quinolylmethyleneamino]butyramide Formula: C15H18N4OS MolecularWeight: 302.39462

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NN=CC1=CC=CC2=C1N=CC=C2)N

Isomeric SMILES

CSCC[C@@H](C(=O)N/N=C/C1=CC=CC2=C1N=CC=C2)N

InChI

InChI=1S/C15H18N4OS/c1-21-9-7-13(16)15(20)19-18-10-12-5-2-4-11-6-3-8-17-14(11)12/h2-6,8,10,13H,7,9,16H2,1H3,(H,19,20)/b18-10+/t13-/m0/s1