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

Systemtic Name: 3-[4-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[4-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-4-oxo-butyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[4-[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[4-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[4-[4-(benzothiophen-3-ylmethyl)piperazino]-4-keto-butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C24H24N4O5S MolecularWeight: 480.53616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC3=CC=CC=C32)C(=O)CCCN4C5=C(C=C(C=C5)[N+](=O)[O-])OC4=O

Isomeric SMILES

C1CN(CCN1CC2=CSC3=CC=CC=C32)C(=O)CCCN4C5=C(C=C(C=C5)[N+](=O)[O-])OC4=O

InChI

InChI=1S/C24H24N4O5S/c29-23(6-3-9-27-20-8-7-18(28(31)32)14-21(20)33-24(27)30)26-12-10-25(11-13-26)15-17-16-34-22-5-2-1-4-19(17)22/h1-2,4-5,7-8,14,16H,3,6,9-13,15H2