3-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one Openeye Name: 3-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl]-1,3-benzoxazol-2-one CAS Name: 3-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-keto-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]ethyl]-1,3-benzoxazol-2-one Formula: C20H17N5O5S MolecularWeight: 439.44448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CN4C5=CC=CC=C5OC4=O

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CN4C5=CC=CC=C5OC4=O

InChI

InChI=1S/C20H17N5O5S/c26-18(12-24-15-3-1-2-4-16(15)30-20(24)27)22-7-9-23(10-8-22)19-21-14-6-5-13(25(28)29)11-17(14)31-19/h1-6,11H,7-10,12H2