N-(4-bromophenyl)-2-[3-(butanoylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(4-bromophenyl)-2-[3-(butanoylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(4-bromophenyl)-2-[3-(butanoylamino)phenyl]sulfanyl-butanamide CAS Name: N-(4-bromophenyl)-2-[[3-(1-oxobutylamino)phenyl]thio]butanamide IUPAC Name: N-(4-bromophenyl)-2-[3-(butanoylamino)phenyl]sulfanylbutanamide Traditional Name: N-(4-bromophenyl)-2-[(3-butyramidophenyl)thio]butyramide Formula: C20H23BrN2O2S MolecularWeight: 435.37782

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C20H23BrN2O2S/c1-3-6-19(24)22-16-7-5-8-17(13-16)26-18(4-2)20(25)23-15-11-9-14(21)10-12-15/h5,7-13,18H,3-4,6H2,1-2H3,(H,22,24)(H,23,25)