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

Systemtic Name: 2-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanyl-N-(1-phenylethyl)butanamide Openeye Name: 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanyl-N-(1-phenylethyl)butanamide CAS Name: 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-4-(methylthio)-N-(1-phenylethyl)butanamide IUPAC Name: 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanyl-N-(1-phenylethyl)butanamide Traditional Name: 2-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonylamino]-4-(methylthio)-N-(1-phenylethyl)butyramide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S2/c1-14(15-7-5-4-6-8-15)22-20(25)17(11-12-30-3)23-31(27,28)16-9-10-18-19(13-16)29-21(26)24(18)2/h4-10,13-14,17,23H,11-12H2,1-3H3,(H,22,25)