N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCNC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCNC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H20N4O5S/c26-19(22-11-3-8-20-23-15-5-1-2-6-18(15)31-20)7-4-12-24-16-10-9-14(25(28)29)13-17(16)30-21(24)27/h1-2,5-6,9-10,13H,3-4,7-8,11-12H2,(H,22,26)