N-[(5-methylthiophen-2-yl)methyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-phenethyl-butanamide

Systemtic Name: N-[(5-methylthiophen-2-yl)methyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-phenethyl-butanamide Openeye Name: N-[(5-methyl-2-thienyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-phenethyl-butanamide CAS Name: N-[(5-methyl-2-thiophenyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-phenethylbutanamide IUPAC Name: N-[(5-methylthiophen-2-yl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-phenethylbutanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-[(5-methyl-2-thienyl)methyl]-N-phenethyl-butyramide Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C25H25N3O5S/c1-18-9-11-21(34-18)17-26(15-13-19-6-3-2-4-7-19)24(29)8-5-14-27-22-12-10-20(28(31)32)16-23(22)33-25(27)30/h2-4,6-7,9-12,16H,5,8,13-15,17H2,1H3