N-(4-bromanyl-3-methyl-phenyl)-2-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanyl-butanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanyl-butanamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonylamino]-4-(methylthio)butyramide Formula: C20H22BrN3O5S2 MolecularWeight: 528.43978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C)Br

InChI

InChI=1S/C20H22BrN3O5S2/c1-12-10-13(4-6-15(12)21)22-19(25)16(8-9-30-3)23-31(27,28)14-5-7-17-18(11-14)29-20(26)24(17)2/h4-7,10-11,16,23H,8-9H2,1-3H3,(H,22,25)