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

Systemtic Name: 6-nitro-3-[4-oxidanylidene-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one Openeye Name: 6-nitro-3-[4-oxo-4-[4-(2-thienylmethyl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one CAS Name: 6-nitro-3-[4-oxo-4-[4-(thiophen-2-ylmethyl)-1-piperazinyl]butyl]-1,3-benzoxazol-2-one IUPAC Name: 6-nitro-3-[4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one Traditional Name: 3-[4-keto-4-[4-(2-thenyl)piperazino]butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C20H22N4O5S/c25-19(22-10-8-21(9-11-22)14-16-3-2-12-30-16)4-1-7-23-17-6-5-15(24(27)28)13-18(17)29-20(23)26/h2-3,5-6,12-13H,1,4,7-11,14H2