2-azanyl-N-[4-[4-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]phenyl]sulfonylphenyl]-4-methylsulfanyl-butanamide

Systemtic Name: 2-azanyl-N-[4-[4-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]phenyl]sulfonylphenyl]-4-methylsulfanyl-butanamide Openeye Name: 2-amino-N-[4-[4-[(2-amino-4-methylsulfanyl-butanoyl)amino]phenyl]sulfonylphenyl]-4-methylsulfanyl-butanamide CAS Name: 2-amino-N-[4-[4-[[2-amino-4-(methylthio)-1-oxobutyl]amino]phenyl]sulfonylphenyl]-4-(methylthio)butanamide IUPAC Name: 2-amino-N-[4-[4-[(2-amino-4-methylsulfanylbutanoyl)amino]phenyl]sulfonylphenyl]-4-methylsulfanylbutanamide Traditional Name: 2-amino-N-[4-[4-[[2-amino-4-(methylthio)butanoyl]amino]phenyl]sulfonylphenyl]-4-(methylthio)butyramide Formula: C22H30N4O4S3 MolecularWeight: 510.693

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C(CCSC)N)N

Isomeric SMILES

CSCCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C(CCSC)N)N

InChI

InChI=1S/C22H30N4O4S3/c1-31-13-11-19(23)21(27)25-15-3-7-17(8-4-15)33(29,30)18-9-5-16(6-10-18)26-22(28)20(24)12-14-32-2/h3-10,19-20H,11-14,23-24H2,1-2H3,(H,25,27)(H,26,28)