N-[3-[1-[(2-bromophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]pentanamide

Systemtic Name: N-[3-[1-[(2-bromophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]pentanamide Openeye Name: N-[3-[1-[(2-bromophenyl)carbamoyl]propylsulfanyl]phenyl]pentanamide CAS Name: N-[3-[[1-(2-bromoanilino)-1-oxobutan-2-yl]thio]phenyl]pentanamide IUPAC Name: N-[3-[1-(2-bromoanilino)-1-oxobutan-2-yl]sulfanylphenyl]pentanamide Traditional Name: N-[3-[1-[(2-bromophenyl)carbamoyl]propylthio]phenyl]valeramide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC=CC=C2Br

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC=CC=C2Br

InChI

InChI=1S/C21H25BrN2O2S/c1-3-5-13-20(25)23-15-9-8-10-16(14-15)27-19(4-2)21(26)24-18-12-7-6-11-17(18)22/h6-12,14,19H,3-5,13H2,1-2H3,(H,23,25)(H,24,26)