N-(1-azanyl-4-methylsulfanyl-1-sulfanylidene-butan-2-yl)-2-phenyl-4-(pyridin-3-yloxymethyl)benzamide

Systemtic Name: N-(1-azanyl-4-methylsulfanyl-1-sulfanylidene-butan-2-yl)-2-phenyl-4-(pyridin-3-yloxymethyl)benzamide Openeye Name: N-(1-carbamothioyl-3-methylsulfanyl-propyl)-2-phenyl-4-(3-pyridyloxymethyl)benzamide CAS Name: N-[1-amino-4-(methylthio)-1-sulfanylidenebutan-2-yl]-2-phenyl-4-(3-pyridinyloxymethyl)benzamide IUPAC Name: N-(1-amino-4-methylsulfanyl-1-sulfanylidenebutan-2-yl)-2-phenyl-4-(pyridin-3-yloxymethyl)benzamide Traditional Name: N-[3-(methylthio)-1-thiocarbamoyl-propyl]-2-phenyl-4-(3-pyridyloxymethyl)benzamide Formula: C24H25N3O2S2 MolecularWeight: 451.6042

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=S)N)NC(=O)C1=C(C=C(C=C1)COC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=S)N)NC(=O)C1=C(C=C(C=C1)COC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H25N3O2S2/c1-31-13-11-22(23(25)30)27-24(28)20-10-9-17(16-29-19-8-5-12-26-15-19)14-21(20)18-6-3-2-4-7-18/h2-10,12,14-15,22H,11,13,16H2,1H3,(H2,25,30)(H,27,28)