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

Systemtic Name: N-(2-bromophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(2-bromophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(2-bromophenyl)butanamide IUPAC Name: N-(2-bromophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanamide Traditional Name: N-(2-bromophenyl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]butyramide Formula: C23H22BrN3OS2 MolecularWeight: 500.47428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1Br)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1Br)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C23H22BrN3OS2/c1-2-21(22(28)27-20-14-7-6-13-19(20)24)30-18-12-8-11-17(15-18)26-23(29)25-16-9-4-3-5-10-16/h3-15,21H,2H2,1H3,(H,27,28)(H2,25,26,29)