N-(4-bromophenyl)-3-quinolin-8-ylsulfanyl-propanamide; ethanethiol

Systemtic Name: N-(4-bromophenyl)-3-quinolin-8-ylsulfanyl-propanamide; ethanethiol Openeye Name: N-(4-bromophenyl)-3-(8-quinolylsulfanyl)propanamide; ethanethiol CAS Name: N-(4-bromophenyl)-3-(8-quinolinylthio)propanamide; ethanethiol IUPAC Name: N-(4-bromophenyl)-3-quinolin-8-ylsulfanylpropanamide; ethanethiol Traditional Name: N-(4-bromophenyl)-3-(8-quinolylthio)propionamide; ethanethiol Formula: C20H21BrN2OS2 MolecularWeight: 449.42754

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Descriptors Computed from Structure

Canonical SMILES:

CCS.C1=CC2=C(C(=C1)SCCC(=O)NC3=CC=C(C=C3)Br)N=CC=C2

Isomeric SMILES

CCS.C1=CC2=C(C(=C1)SCCC(=O)NC3=CC=C(C=C3)Br)N=CC=C2

InChI

InChI=1S/C18H15BrN2OS.C2H6S/c19-14-6-8-15(9-7-14)21-17(22)10-12-23-16-5-1-3-13-4-2-11-20-18(13)16;1-2-3/h1-9,11H,10,12H2,(H,21,22);3H,2H2,1H3