4-bromanyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(quinolin-8-ylamino)butan-2-yl]benzamide

Systemtic Name: 4-bromanyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(quinolin-8-ylamino)butan-2-yl]benzamide Openeye Name: 4-bromo-N-[3-methylsulfanyl-1-(8-quinolylcarbamoyl)propyl]benzamide CAS Name: 4-bromo-N-[4-(methylthio)-1-oxo-1-(8-quinolinylamino)butan-2-yl]benzamide IUPAC Name: 4-bromo-N-[4-methylsulfanyl-1-oxo-1-(quinolin-8-ylamino)butan-2-yl]benzamide Traditional Name: 4-bromo-N-[3-(methylthio)-1-(8-quinolylcarbamoyl)propyl]benzamide Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC2=C1N=CC=C2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CSCCC(C(=O)NC1=CC=CC2=C1N=CC=C2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrN3O2S/c1-28-13-11-18(25-20(26)15-7-9-16(22)10-8-15)21(27)24-17-6-2-4-14-5-3-12-23-19(14)17/h2-10,12,18H,11,13H2,1H3,(H,24,27)(H,25,26)