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

Systemtic Name: 6-nitro-3-[4-oxidanylidene-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one Openeye Name: 6-nitro-3-[4-oxo-4-(4-thiazol-2-ylpiperazin-1-yl)butyl]-1,3-benzoxazol-2-one CAS Name: 6-nitro-3-[4-oxo-4-[4-(2-thiazolyl)-1-piperazinyl]butyl]-1,3-benzoxazol-2-one IUPAC Name: 6-nitro-3-[4-oxo-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one Traditional Name: 3-[4-keto-4-(4-thiazol-2-ylpiperazino)butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C18H19N5O5S MolecularWeight: 417.43896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CS2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CN(CCN1C2=NC=CS2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C18H19N5O5S/c24-16(20-7-9-21(10-8-20)17-19-5-11-29-17)2-1-6-22-14-4-3-13(23(26)27)12-15(14)28-18(22)25/h3-5,11-12H,1-2,6-10H2