N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[3-(butanoylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[3-(butanoylamino)phenyl]sulfanyl-butanamide Openeye Name: N-[4-(4-bromophenyl)thiazol-2-yl]-2-[3-(butanoylamino)phenyl]sulfanyl-butanamide CAS Name: N-[4-(4-bromophenyl)-2-thiazolyl]-2-[[3-(1-oxobutylamino)phenyl]thio]butanamide IUPAC Name: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[3-(butanoylamino)phenyl]sulfanylbutanamide Traditional Name: N-[4-(4-bromophenyl)thiazol-2-yl]-2-[(3-butyramidophenyl)thio]butyramide Formula: C23H24BrN3O2S2 MolecularWeight: 518.48956

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H24BrN3O2S2/c1-3-6-21(28)25-17-7-5-8-18(13-17)31-20(4-2)22(29)27-23-26-19(14-30-23)15-9-11-16(24)12-10-15/h5,7-14,20H,3-4,6H2,1-2H3,(H,25,28)(H,26,27,29)