4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N,N-bis(thiophen-2-ylmethyl)butanamide

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N,N-bis(thiophen-2-ylmethyl)butanamide Openeye Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(2-thienylmethyl)butanamide CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(thiophen-2-ylmethyl)butanamide IUPAC Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N,N-bis(thiophen-2-ylmethyl)butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N,N-bis(2-thenyl)butyramide Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CN(CC2=CC=CS2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1=CSC(=C1)CN(CC2=CC=CS2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H19N3O5S2/c25-20(22(13-16-4-2-10-30-16)14-17-5-3-11-31-17)6-1-9-23-18-8-7-15(24(27)28)12-19(18)29-21(23)26/h2-5,7-8,10-12H,1,6,9,13-14H2