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

Systemtic Name: 2-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanyl-butanamide CAS Name: 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-4-(methylthio)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: N-benzyl-2-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonylamino]-4-(methylthio)butyramide Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NC(CCSC)C(=O)NCC3=CC=CC=C3)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NC(CCSC)C(=O)NCC3=CC=CC=C3)OC1=O

InChI

InChI=1S/C20H23N3O5S2/c1-23-17-9-8-15(12-18(17)28-20(23)25)30(26,27)22-16(10-11-29-2)19(24)21-13-14-6-4-3-5-7-14/h3-9,12,16,22H,10-11,13H2,1-2H3,(H,21,24)